USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 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 48 HIS : no HE2:sc= -3.08! K(o=-2.8!,f=-0.64) USER MOD Set 1.2: A 52 THR OG1 : rot 49:sc= 0.245 USER MOD Set 2.1: A 33 SER OG : rot -108:sc= 1.19 USER MOD Set 2.2: A 35 GLN : amide:sc= -0.142 K(o=1,f=-3.8!) USER MOD Set 3.1: A 1 MET N :NH3+ 175:sc= 1.03 (180deg=0.563) USER MOD Set 3.2: A 3 GLN : amide:sc= -0.0712 K(o=0.95,f=-5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 8 GLN : amide:sc= 0.674 K(o=0.67,f=-0.024) USER MOD Single : A 12 MET CE :methyl -179:sc= -0.113 (180deg=-0.114) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.255 USER MOD Single : A 17 CYS SG : rot 70:sc= 0.317 USER MOD Single : A 19 SER OG : rot 24:sc= 1.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.991 (180deg=0.575) USER MOD Single : A 32 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.9!) USER MOD Single : A 34 CYS SG : rot 150:sc= -0.964 USER MOD Single : A 37 ASN : amide:sc= 0.576 K(o=0.58,f=-4.7!) USER MOD Single : A 42 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 46 SER OG : rot 59:sc= 0.598 USER MOD Single : A 47 TYR OH : rot 152:sc= 0.76 USER MOD Single : A 51 THR OG1 : rot 7:sc= 1.19 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -154:sc= 0.199 USER MOD Single : A 66 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 71 LYS NZ :NH3+ 130:sc= 1.3 (180deg=-0.223) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 73 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.389 -11.913 -11.976 1.00 5.21 N ATOM 2 CA MET A 1 -6.951 -13.076 -11.247 1.00 4.30 C ATOM 3 C MET A 1 -6.634 -12.846 -9.774 1.00 3.29 C ATOM 4 O MET A 1 -7.254 -11.959 -9.206 1.00 3.71 O ATOM 5 CB MET A 1 -6.462 -14.403 -11.863 1.00 4.46 C ATOM 6 CG MET A 1 -7.314 -15.612 -11.460 1.00 5.11 C ATOM 7 SD MET A 1 -7.127 -16.159 -9.747 1.00 5.75 S ATOM 8 CE MET A 1 -8.289 -17.551 -9.730 1.00 6.76 C ATOM 0 H1 MET A 1 -6.502 -12.057 -13.000 1.00 5.21 H new ATOM 0 H2 MET A 1 -6.892 -11.048 -11.691 1.00 5.21 H new ATOM 0 H3 MET A 1 -5.379 -11.817 -11.749 1.00 5.21 H new ATOM 0 HA MET A 1 -8.034 -13.166 -11.338 1.00 4.30 H new ATOM 0 HB2 MET A 1 -6.463 -14.313 -12.949 1.00 4.46 H new ATOM 0 HB3 MET A 1 -5.430 -14.578 -11.559 1.00 4.46 H new ATOM 0 HG2 MET A 1 -8.362 -15.370 -11.633 1.00 5.11 H new ATOM 0 HG3 MET A 1 -7.066 -16.445 -12.118 1.00 5.11 H new ATOM 0 HE1 MET A 1 -8.297 -18.006 -8.740 1.00 6.76 H new ATOM 0 HE2 MET A 1 -9.289 -17.193 -9.973 1.00 6.76 H new ATOM 0 HE3 MET A 1 -7.980 -18.292 -10.467 1.00 6.76 H new ATOM 20 N ALA A 2 -5.555 -13.414 -9.221 1.00 2.77 N ATOM 21 CA ALA A 2 -4.652 -12.621 -8.385 1.00 2.28 C ATOM 22 C ALA A 2 -4.308 -11.332 -9.156 1.00 1.66 C ATOM 23 O ALA A 2 -4.089 -11.398 -10.369 1.00 1.95 O ATOM 24 CB ALA A 2 -3.406 -13.461 -8.098 1.00 2.82 C ATOM 0 H ALA A 2 -5.292 -14.393 -9.334 1.00 2.77 H new ATOM 0 HA ALA A 2 -5.106 -12.347 -7.432 1.00 2.28 H new ATOM 0 HB1 ALA A 2 -2.717 -12.890 -7.475 1.00 2.82 H new ATOM 0 HB2 ALA A 2 -3.695 -14.374 -7.577 1.00 2.82 H new ATOM 0 HB3 ALA A 2 -2.917 -13.719 -9.037 1.00 2.82 H new ATOM 30 N GLN A 3 -4.371 -10.162 -8.526 1.00 1.42 N ATOM 31 CA GLN A 3 -4.502 -8.894 -9.250 1.00 0.95 C ATOM 32 C GLN A 3 -3.554 -7.864 -8.635 1.00 0.91 C ATOM 33 O GLN A 3 -3.972 -6.951 -7.929 1.00 1.29 O ATOM 34 CB GLN A 3 -5.992 -8.486 -9.225 1.00 1.27 C ATOM 35 CG GLN A 3 -6.350 -7.445 -10.295 1.00 2.08 C ATOM 36 CD GLN A 3 -6.179 -7.973 -11.725 1.00 3.31 C ATOM 37 OE1 GLN A 3 -6.256 -9.166 -12.010 1.00 3.28 O ATOM 38 NE2 GLN A 3 -5.892 -7.118 -12.682 1.00 4.86 N ATOM 0 H GLN A 3 -4.334 -10.062 -7.512 1.00 1.42 H new ATOM 0 HA GLN A 3 -4.209 -8.977 -10.297 1.00 0.95 H new ATOM 0 HB2 GLN A 3 -6.608 -9.374 -9.370 1.00 1.27 H new ATOM 0 HB3 GLN A 3 -6.236 -8.086 -8.241 1.00 1.27 H new ATOM 0 HG2 GLN A 3 -7.382 -7.126 -10.152 1.00 2.08 H new ATOM 0 HG3 GLN A 3 -5.722 -6.564 -10.161 1.00 2.08 H new ATOM 0 HE21 GLN A 3 -5.822 -6.122 -12.472 1.00 4.86 H new ATOM 0 HE22 GLN A 3 -5.739 -7.451 -13.634 1.00 4.86 H new ATOM 47 N THR A 4 -2.243 -8.076 -8.800 1.00 0.83 N ATOM 48 CA THR A 4 -1.244 -7.355 -8.007 1.00 0.83 C ATOM 49 C THR A 4 -0.719 -6.150 -8.764 1.00 0.95 C ATOM 50 O THR A 4 -0.360 -6.226 -9.936 1.00 1.25 O ATOM 51 CB THR A 4 -0.144 -8.306 -7.507 1.00 0.82 C ATOM 52 OG1 THR A 4 0.687 -7.606 -6.626 1.00 0.95 O ATOM 53 CG2 THR A 4 0.731 -8.929 -8.594 1.00 1.10 C ATOM 0 H THR A 4 -1.852 -8.737 -9.471 1.00 0.83 H new ATOM 0 HA THR A 4 -1.720 -6.959 -7.110 1.00 0.83 H new ATOM 0 HB THR A 4 -0.670 -9.135 -7.033 1.00 0.82 H new ATOM 0 HG1 THR A 4 1.291 -8.234 -6.177 1.00 0.95 H new ATOM 0 HG21 THR A 4 1.473 -9.582 -8.134 1.00 1.10 H new ATOM 0 HG22 THR A 4 0.108 -9.510 -9.274 1.00 1.10 H new ATOM 0 HG23 THR A 4 1.237 -8.140 -9.151 1.00 1.10 H new ATOM 61 N ILE A 5 -0.639 -5.031 -8.055 1.00 0.80 N ATOM 62 CA ILE A 5 0.074 -3.832 -8.482 1.00 0.88 C ATOM 63 C ILE A 5 1.428 -3.837 -7.761 1.00 0.73 C ATOM 64 O ILE A 5 1.490 -4.145 -6.567 1.00 0.66 O ATOM 65 CB ILE A 5 -0.744 -2.543 -8.198 1.00 1.04 C ATOM 66 CG1 ILE A 5 -2.133 -2.489 -8.889 1.00 1.37 C ATOM 67 CG2 ILE A 5 0.042 -1.318 -8.709 1.00 1.18 C ATOM 68 CD1 ILE A 5 -3.234 -3.360 -8.273 1.00 1.51 C ATOM 0 H ILE A 5 -1.081 -4.929 -7.141 1.00 0.80 H new ATOM 0 HA ILE A 5 0.226 -3.838 -9.561 1.00 0.88 H new ATOM 0 HB ILE A 5 -0.903 -2.542 -7.120 1.00 1.04 H new ATOM 0 HG12 ILE A 5 -2.475 -1.454 -8.888 1.00 1.37 H new ATOM 0 HG13 ILE A 5 -2.008 -2.782 -9.931 1.00 1.37 H new ATOM 0 HG21 ILE A 5 -0.529 -0.411 -8.511 1.00 1.18 H new ATOM 0 HG22 ILE A 5 1.002 -1.262 -8.196 1.00 1.18 H new ATOM 0 HG23 ILE A 5 0.210 -1.415 -9.782 1.00 1.18 H new ATOM 0 HD11 ILE A 5 -4.156 -3.238 -8.842 1.00 1.51 H new ATOM 0 HD12 ILE A 5 -2.928 -4.406 -8.299 1.00 1.51 H new ATOM 0 HD13 ILE A 5 -3.402 -3.057 -7.240 1.00 1.51 H new ATOM 80 N ASN A 6 2.487 -3.506 -8.500 1.00 0.80 N ATOM 81 CA ASN A 6 3.815 -3.175 -7.981 1.00 0.68 C ATOM 82 C ASN A 6 4.208 -1.780 -8.486 1.00 0.63 C ATOM 83 O ASN A 6 3.901 -1.402 -9.628 1.00 0.70 O ATOM 84 CB ASN A 6 4.861 -4.219 -8.397 1.00 0.83 C ATOM 85 CG ASN A 6 4.988 -4.321 -9.911 1.00 1.13 C ATOM 86 OD1 ASN A 6 5.844 -3.720 -10.544 1.00 2.23 O ATOM 87 ND2 ASN A 6 4.067 -5.018 -10.543 1.00 1.14 N ATOM 0 H ASN A 6 2.442 -3.459 -9.518 1.00 0.80 H new ATOM 0 HA ASN A 6 3.781 -3.178 -6.892 1.00 0.68 H new ATOM 0 HB2 ASN A 6 5.828 -3.955 -7.968 1.00 0.83 H new ATOM 0 HB3 ASN A 6 4.586 -5.192 -7.989 1.00 0.83 H new ATOM 0 HD21 ASN A 6 4.067 -5.057 -11.562 1.00 1.14 H new ATOM 0 HD22 ASN A 6 3.354 -5.519 -10.013 1.00 1.14 H new ATOM 94 N LEU A 7 4.842 -1.003 -7.609 1.00 0.76 N ATOM 95 CA LEU A 7 5.038 0.441 -7.734 1.00 0.68 C ATOM 96 C LEU A 7 5.930 0.948 -6.586 1.00 0.56 C ATOM 97 O LEU A 7 6.207 0.196 -5.658 1.00 0.48 O ATOM 98 CB LEU A 7 3.657 1.137 -7.795 1.00 0.66 C ATOM 99 CG LEU A 7 2.936 1.404 -6.453 1.00 0.66 C ATOM 100 CD1 LEU A 7 1.680 2.235 -6.736 1.00 0.73 C ATOM 101 CD2 LEU A 7 2.546 0.127 -5.697 1.00 0.70 C ATOM 0 H LEU A 7 5.251 -1.379 -6.754 1.00 0.76 H new ATOM 0 HA LEU A 7 5.560 0.684 -8.659 1.00 0.68 H new ATOM 0 HB2 LEU A 7 3.783 2.092 -8.306 1.00 0.66 H new ATOM 0 HB3 LEU A 7 3.000 0.528 -8.415 1.00 0.66 H new ATOM 0 HG LEU A 7 3.636 1.937 -5.809 1.00 0.66 H new ATOM 0 HD11 LEU A 7 1.157 2.434 -5.801 1.00 0.73 H new ATOM 0 HD12 LEU A 7 1.965 3.179 -7.200 1.00 0.73 H new ATOM 0 HD13 LEU A 7 1.023 1.684 -7.409 1.00 0.73 H new ATOM 0 HD21 LEU A 7 2.045 0.394 -4.766 1.00 0.70 H new ATOM 0 HD22 LEU A 7 1.873 -0.469 -6.313 1.00 0.70 H new ATOM 0 HD23 LEU A 7 3.442 -0.452 -5.474 1.00 0.70 H new ATOM 113 N GLN A 8 6.342 2.215 -6.609 1.00 0.56 N ATOM 114 CA GLN A 8 6.999 2.882 -5.478 1.00 0.48 C ATOM 115 C GLN A 8 6.010 3.709 -4.651 1.00 0.41 C ATOM 116 O GLN A 8 4.902 4.002 -5.094 1.00 0.47 O ATOM 117 CB GLN A 8 8.247 3.648 -5.925 1.00 0.66 C ATOM 118 CG GLN A 8 9.459 2.709 -6.012 1.00 0.80 C ATOM 119 CD GLN A 8 10.706 3.448 -6.489 1.00 1.26 C ATOM 120 OE1 GLN A 8 10.696 4.146 -7.493 1.00 1.69 O ATOM 121 NE2 GLN A 8 11.815 3.346 -5.785 1.00 1.89 N ATOM 0 H GLN A 8 6.229 2.818 -7.424 1.00 0.56 H new ATOM 0 HA GLN A 8 7.363 2.115 -4.794 1.00 0.48 H new ATOM 0 HB2 GLN A 8 8.068 4.109 -6.896 1.00 0.66 H new ATOM 0 HB3 GLN A 8 8.456 4.455 -5.222 1.00 0.66 H new ATOM 0 HG2 GLN A 8 9.649 2.267 -5.034 1.00 0.80 H new ATOM 0 HG3 GLN A 8 9.237 1.889 -6.695 1.00 0.80 H new ATOM 0 HE21 GLN A 8 11.835 2.767 -4.946 1.00 1.89 H new ATOM 0 HE22 GLN A 8 12.654 3.846 -6.079 1.00 1.89 H new ATOM 130 N LEU A 9 6.411 4.064 -3.430 1.00 0.40 N ATOM 131 CA LEU A 9 5.545 4.555 -2.366 1.00 0.46 C ATOM 132 C LEU A 9 6.072 5.916 -1.882 1.00 0.59 C ATOM 133 O LEU A 9 6.824 6.047 -0.917 1.00 1.24 O ATOM 134 CB LEU A 9 5.467 3.445 -1.302 1.00 0.54 C ATOM 135 CG LEU A 9 4.153 3.473 -0.511 1.00 0.81 C ATOM 136 CD1 LEU A 9 4.077 2.242 0.401 1.00 2.09 C ATOM 137 CD2 LEU A 9 4.034 4.741 0.339 1.00 1.38 C ATOM 0 H LEU A 9 7.390 4.014 -3.147 1.00 0.40 H new ATOM 0 HA LEU A 9 4.522 4.755 -2.684 1.00 0.46 H new ATOM 0 HB2 LEU A 9 5.574 2.475 -1.787 1.00 0.54 H new ATOM 0 HB3 LEU A 9 6.304 3.550 -0.612 1.00 0.54 H new ATOM 0 HG LEU A 9 3.330 3.465 -1.226 1.00 0.81 H new ATOM 0 HD11 LEU A 9 3.143 2.262 0.963 1.00 2.09 H new ATOM 0 HD12 LEU A 9 4.116 1.337 -0.205 1.00 2.09 H new ATOM 0 HD13 LEU A 9 4.918 2.251 1.095 1.00 2.09 H new ATOM 0 HD21 LEU A 9 3.091 4.726 0.885 1.00 1.38 H new ATOM 0 HD22 LEU A 9 4.862 4.784 1.046 1.00 1.38 H new ATOM 0 HD23 LEU A 9 4.064 5.617 -0.309 1.00 1.38 H new ATOM 149 N GLU A 10 5.691 6.928 -2.651 1.00 0.69 N ATOM 150 CA GLU A 10 6.290 8.249 -2.730 1.00 0.90 C ATOM 151 C GLU A 10 6.181 9.001 -1.403 1.00 0.90 C ATOM 152 O GLU A 10 5.087 9.349 -0.958 1.00 1.01 O ATOM 153 CB GLU A 10 5.592 8.992 -3.883 1.00 1.13 C ATOM 154 CG GLU A 10 6.423 10.131 -4.494 1.00 1.53 C ATOM 155 CD GLU A 10 5.956 10.504 -5.907 1.00 2.31 C ATOM 156 OE1 GLU A 10 5.448 9.622 -6.632 1.00 3.47 O ATOM 157 OE2 GLU A 10 6.199 11.635 -6.371 1.00 2.89 O ATOM 0 H GLU A 10 4.895 6.837 -3.282 1.00 0.69 H new ATOM 0 HA GLU A 10 7.359 8.175 -2.927 1.00 0.90 H new ATOM 0 HB2 GLU A 10 5.347 8.275 -4.667 1.00 1.13 H new ATOM 0 HB3 GLU A 10 4.649 9.400 -3.519 1.00 1.13 H new ATOM 0 HG2 GLU A 10 6.360 11.008 -3.850 1.00 1.53 H new ATOM 0 HG3 GLU A 10 7.471 9.835 -4.527 1.00 1.53 H new ATOM 164 N GLY A 11 7.333 9.250 -0.778 1.00 1.39 N ATOM 165 CA GLY A 11 7.448 10.063 0.433 1.00 1.64 C ATOM 166 C GLY A 11 7.653 9.283 1.729 1.00 1.33 C ATOM 167 O GLY A 11 7.977 9.922 2.730 1.00 1.58 O ATOM 0 H GLY A 11 8.228 8.886 -1.105 1.00 1.39 H new ATOM 0 HA2 GLY A 11 8.282 10.753 0.309 1.00 1.64 H new ATOM 0 HA3 GLY A 11 6.546 10.667 0.531 1.00 1.64 H new ATOM 171 N MET A 12 7.525 7.943 1.756 1.00 1.13 N ATOM 172 CA MET A 12 7.807 7.173 2.985 1.00 1.11 C ATOM 173 C MET A 12 9.221 7.457 3.522 1.00 1.09 C ATOM 174 O MET A 12 10.187 7.287 2.791 1.00 1.93 O ATOM 175 CB MET A 12 7.522 5.670 2.809 1.00 1.85 C ATOM 176 CG MET A 12 8.334 4.930 1.732 1.00 1.91 C ATOM 177 SD MET A 12 9.172 3.426 2.311 1.00 2.71 S ATOM 178 CE MET A 12 10.591 4.189 3.137 1.00 3.57 C ATOM 0 H MET A 12 7.234 7.379 0.958 1.00 1.13 H new ATOM 0 HA MET A 12 7.112 7.519 3.750 1.00 1.11 H new ATOM 0 HB2 MET A 12 7.698 5.177 3.765 1.00 1.85 H new ATOM 0 HB3 MET A 12 6.463 5.550 2.578 1.00 1.85 H new ATOM 0 HG2 MET A 12 7.667 4.665 0.912 1.00 1.91 H new ATOM 0 HG3 MET A 12 9.081 5.613 1.327 1.00 1.91 H new ATOM 0 HE1 MET A 12 11.237 3.411 3.544 1.00 3.57 H new ATOM 0 HE2 MET A 12 11.152 4.787 2.419 1.00 3.57 H new ATOM 0 HE3 MET A 12 10.240 4.829 3.946 1.00 3.57 H new ATOM 188 N ARG A 13 9.364 7.949 4.763 1.00 1.06 N ATOM 189 CA ARG A 13 10.661 8.466 5.274 1.00 1.33 C ATOM 190 C ARG A 13 10.815 8.517 6.800 1.00 1.25 C ATOM 191 O ARG A 13 11.908 8.788 7.287 1.00 2.04 O ATOM 192 CB ARG A 13 10.933 9.873 4.681 1.00 2.00 C ATOM 193 CG ARG A 13 11.899 9.861 3.479 1.00 2.94 C ATOM 194 CD ARG A 13 11.404 10.756 2.336 1.00 3.52 C ATOM 195 NE ARG A 13 12.103 10.459 1.073 1.00 4.71 N ATOM 196 CZ ARG A 13 11.771 9.488 0.224 1.00 5.95 C ATOM 197 NH1 ARG A 13 10.797 8.644 0.458 1.00 6.45 N ATOM 198 NH2 ARG A 13 12.438 9.309 -0.890 1.00 7.23 N ATOM 0 H ARG A 13 8.601 8.003 5.438 1.00 1.06 H new ATOM 0 HA ARG A 13 11.398 7.734 4.943 1.00 1.33 H new ATOM 0 HB2 ARG A 13 9.987 10.317 4.371 1.00 2.00 H new ATOM 0 HB3 ARG A 13 11.345 10.513 5.461 1.00 2.00 H new ATOM 0 HG2 ARG A 13 12.884 10.197 3.802 1.00 2.94 H new ATOM 0 HG3 ARG A 13 12.014 8.840 3.116 1.00 2.94 H new ATOM 0 HD2 ARG A 13 10.332 10.615 2.201 1.00 3.52 H new ATOM 0 HD3 ARG A 13 11.557 11.802 2.600 1.00 3.52 H new ATOM 0 HE ARG A 13 12.904 11.043 0.830 1.00 4.71 H new ATOM 0 HH11 ARG A 13 10.257 8.715 1.320 1.00 6.45 H new ATOM 0 HH12 ARG A 13 10.579 7.916 -0.222 1.00 6.45 H new ATOM 0 HH21 ARG A 13 13.224 9.918 -1.117 1.00 7.23 H new ATOM 0 HH22 ARG A 13 12.171 8.561 -1.530 1.00 7.23 H new ATOM 212 N CYS A 14 9.751 8.280 7.571 1.00 1.39 N ATOM 213 CA CYS A 14 9.742 8.405 9.032 1.00 1.79 C ATOM 214 C CYS A 14 8.483 7.753 9.634 1.00 2.16 C ATOM 215 O CYS A 14 7.763 7.030 8.944 1.00 2.77 O ATOM 216 CB CYS A 14 9.888 9.901 9.403 1.00 2.35 C ATOM 217 SG CYS A 14 10.619 10.068 11.059 1.00 3.39 S ATOM 0 H CYS A 14 8.851 7.989 7.189 1.00 1.39 H new ATOM 0 HA CYS A 14 10.586 7.866 9.463 1.00 1.79 H new ATOM 0 HB2 CYS A 14 10.515 10.406 8.668 1.00 2.35 H new ATOM 0 HB3 CYS A 14 8.912 10.387 9.377 1.00 2.35 H new ATOM 0 HG CYS A 14 10.738 11.328 11.356 1.00 3.39 H new ATOM 223 N ALA A 15 8.227 8.011 10.923 1.00 2.74 N ATOM 224 CA ALA A 15 6.954 7.797 11.630 1.00 3.54 C ATOM 225 C ALA A 15 6.468 6.331 11.713 1.00 2.78 C ATOM 226 O ALA A 15 5.335 6.099 12.124 1.00 4.02 O ATOM 227 CB ALA A 15 5.895 8.733 11.018 1.00 4.64 C ATOM 0 H ALA A 15 8.944 8.397 11.538 1.00 2.74 H new ATOM 0 HA ALA A 15 7.128 8.044 12.677 1.00 3.54 H new ATOM 0 HB1 ALA A 15 4.943 8.589 11.529 1.00 4.64 H new ATOM 0 HB2 ALA A 15 6.215 9.769 11.132 1.00 4.64 H new ATOM 0 HB3 ALA A 15 5.776 8.505 9.959 1.00 4.64 H new ATOM 233 N ALA A 16 7.282 5.356 11.278 1.00 1.62 N ATOM 234 CA ALA A 16 7.049 3.897 11.223 1.00 1.41 C ATOM 235 C ALA A 16 5.927 3.447 10.260 1.00 1.19 C ATOM 236 O ALA A 16 6.000 2.355 9.692 1.00 1.79 O ATOM 237 CB ALA A 16 6.810 3.356 12.643 1.00 1.70 C ATOM 0 H ALA A 16 8.209 5.587 10.921 1.00 1.62 H new ATOM 0 HA ALA A 16 7.956 3.466 10.800 1.00 1.41 H new ATOM 0 HB1 ALA A 16 6.639 2.280 12.599 1.00 1.70 H new ATOM 0 HB2 ALA A 16 7.684 3.559 13.262 1.00 1.70 H new ATOM 0 HB3 ALA A 16 5.937 3.845 13.077 1.00 1.70 H new ATOM 243 N CYS A 17 4.910 4.288 10.044 1.00 0.83 N ATOM 244 CA CYS A 17 3.602 3.968 9.478 1.00 1.16 C ATOM 245 C CYS A 17 3.571 3.498 8.013 1.00 0.71 C ATOM 246 O CYS A 17 2.480 3.229 7.522 1.00 0.67 O ATOM 247 CB CYS A 17 2.670 5.169 9.732 1.00 2.12 C ATOM 248 SG CYS A 17 2.254 5.238 11.500 1.00 3.44 S ATOM 0 H CYS A 17 4.988 5.278 10.277 1.00 0.83 H new ATOM 0 HA CYS A 17 3.253 3.074 9.994 1.00 1.16 H new ATOM 0 HB2 CYS A 17 3.157 6.094 9.424 1.00 2.12 H new ATOM 0 HB3 CYS A 17 1.762 5.073 9.136 1.00 2.12 H new ATOM 0 HG CYS A 17 3.308 5.577 12.181 1.00 3.44 H new ATOM 254 N ALA A 18 4.705 3.322 7.335 1.00 0.67 N ATOM 255 CA ALA A 18 4.743 2.632 6.043 1.00 0.74 C ATOM 256 C ALA A 18 4.194 1.191 6.150 1.00 0.66 C ATOM 257 O ALA A 18 3.325 0.816 5.377 1.00 0.74 O ATOM 258 CB ALA A 18 6.179 2.702 5.514 1.00 0.98 C ATOM 0 H ALA A 18 5.615 3.649 7.660 1.00 0.67 H new ATOM 0 HA ALA A 18 4.085 3.124 5.326 1.00 0.74 H new ATOM 0 HB1 ALA A 18 6.237 2.195 4.551 1.00 0.98 H new ATOM 0 HB2 ALA A 18 6.472 3.745 5.393 1.00 0.98 H new ATOM 0 HB3 ALA A 18 6.851 2.216 6.221 1.00 0.98 H new ATOM 264 N SER A 19 4.580 0.416 7.165 1.00 0.67 N ATOM 265 CA SER A 19 3.993 -0.920 7.415 1.00 0.76 C ATOM 266 C SER A 19 2.542 -0.851 7.950 1.00 0.72 C ATOM 267 O SER A 19 1.770 -1.808 7.881 1.00 0.78 O ATOM 268 CB SER A 19 4.919 -1.699 8.360 1.00 0.95 C ATOM 269 OG SER A 19 4.610 -3.077 8.390 1.00 1.72 O ATOM 0 H SER A 19 5.300 0.684 7.836 1.00 0.67 H new ATOM 0 HA SER A 19 3.918 -1.448 6.464 1.00 0.76 H new ATOM 0 HB2 SER A 19 5.954 -1.567 8.044 1.00 0.95 H new ATOM 0 HB3 SER A 19 4.838 -1.288 9.366 1.00 0.95 H new ATOM 0 HG SER A 19 4.148 -3.327 7.563 1.00 1.72 H new ATOM 275 N SER A 20 2.102 0.321 8.420 1.00 0.70 N ATOM 276 CA SER A 20 0.691 0.540 8.773 1.00 0.73 C ATOM 277 C SER A 20 -0.217 0.510 7.530 1.00 0.72 C ATOM 278 O SER A 20 -1.413 0.257 7.646 1.00 0.89 O ATOM 279 CB SER A 20 0.543 1.850 9.556 1.00 0.84 C ATOM 280 OG SER A 20 -0.606 1.864 10.383 1.00 1.32 O ATOM 0 H SER A 20 2.701 1.134 8.566 1.00 0.70 H new ATOM 0 HA SER A 20 0.365 -0.279 9.414 1.00 0.73 H new ATOM 0 HB2 SER A 20 1.430 2.004 10.170 1.00 0.84 H new ATOM 0 HB3 SER A 20 0.492 2.684 8.856 1.00 0.84 H new ATOM 0 HG SER A 20 -0.654 2.718 10.861 1.00 1.32 H new ATOM 286 N ILE A 21 0.345 0.702 6.328 1.00 0.62 N ATOM 287 CA ILE A 21 -0.335 0.491 5.036 1.00 0.65 C ATOM 288 C ILE A 21 -0.688 -0.995 4.884 1.00 0.71 C ATOM 289 O ILE A 21 -1.861 -1.339 4.740 1.00 0.88 O ATOM 290 CB ILE A 21 0.558 1.008 3.876 1.00 0.63 C ATOM 291 CG1 ILE A 21 0.940 2.497 4.098 1.00 0.59 C ATOM 292 CG2 ILE A 21 -0.116 0.774 2.511 1.00 0.75 C ATOM 293 CD1 ILE A 21 1.982 3.038 3.121 1.00 0.69 C ATOM 0 H ILE A 21 1.310 1.016 6.222 1.00 0.62 H new ATOM 0 HA ILE A 21 -1.265 1.059 5.002 1.00 0.65 H new ATOM 0 HB ILE A 21 1.485 0.435 3.871 1.00 0.63 H new ATOM 0 HG12 ILE A 21 0.039 3.105 4.021 1.00 0.59 H new ATOM 0 HG13 ILE A 21 1.318 2.614 5.114 1.00 0.59 H new ATOM 0 HG21 ILE A 21 0.532 1.146 1.717 1.00 0.75 H new ATOM 0 HG22 ILE A 21 -0.289 -0.293 2.369 1.00 0.75 H new ATOM 0 HG23 ILE A 21 -1.068 1.303 2.480 1.00 0.75 H new ATOM 0 HD11 ILE A 21 2.187 4.084 3.350 1.00 0.69 H new ATOM 0 HD12 ILE A 21 2.901 2.459 3.212 1.00 0.69 H new ATOM 0 HD13 ILE A 21 1.602 2.958 2.103 1.00 0.69 H new ATOM 305 N GLU A 22 0.306 -1.877 5.017 1.00 0.61 N ATOM 306 CA GLU A 22 0.161 -3.336 4.945 1.00 0.64 C ATOM 307 C GLU A 22 -0.908 -3.799 5.946 1.00 0.65 C ATOM 308 O GLU A 22 -1.878 -4.469 5.583 1.00 0.68 O ATOM 309 CB GLU A 22 1.520 -4.014 5.241 1.00 0.66 C ATOM 310 CG GLU A 22 2.646 -3.582 4.286 1.00 0.71 C ATOM 311 CD GLU A 22 4.044 -4.005 4.751 1.00 0.85 C ATOM 312 OE1 GLU A 22 4.358 -3.742 5.933 1.00 2.05 O ATOM 313 OE2 GLU A 22 4.825 -4.495 3.902 1.00 1.82 O ATOM 0 H GLU A 22 1.269 -1.586 5.184 1.00 0.61 H new ATOM 0 HA GLU A 22 -0.155 -3.622 3.942 1.00 0.64 H new ATOM 0 HB2 GLU A 22 1.815 -3.784 6.265 1.00 0.66 H new ATOM 0 HB3 GLU A 22 1.398 -5.095 5.179 1.00 0.66 H new ATOM 0 HG2 GLU A 22 2.457 -4.006 3.300 1.00 0.71 H new ATOM 0 HG3 GLU A 22 2.622 -2.498 4.177 1.00 0.71 H new ATOM 320 N ARG A 23 -0.800 -3.346 7.202 1.00 0.68 N ATOM 321 CA ARG A 23 -1.756 -3.679 8.259 1.00 0.80 C ATOM 322 C ARG A 23 -3.144 -3.045 8.055 1.00 0.87 C ATOM 323 O ARG A 23 -4.139 -3.597 8.535 1.00 1.05 O ATOM 324 CB ARG A 23 -1.151 -3.283 9.618 1.00 0.87 C ATOM 325 CG ARG A 23 -1.733 -4.115 10.774 1.00 1.08 C ATOM 326 CD ARG A 23 -1.191 -5.555 10.764 1.00 1.77 C ATOM 327 NE ARG A 23 -1.764 -6.361 11.858 1.00 2.10 N ATOM 328 CZ ARG A 23 -2.737 -7.266 11.766 1.00 3.30 C ATOM 329 NH1 ARG A 23 -3.361 -7.539 10.635 1.00 4.90 N ATOM 330 NH2 ARG A 23 -3.111 -7.923 12.845 1.00 3.42 N ATOM 0 H ARG A 23 -0.043 -2.736 7.512 1.00 0.68 H new ATOM 0 HA ARG A 23 -1.929 -4.755 8.225 1.00 0.80 H new ATOM 0 HB2 ARG A 23 -0.070 -3.415 9.585 1.00 0.87 H new ATOM 0 HB3 ARG A 23 -1.338 -2.225 9.803 1.00 0.87 H new ATOM 0 HG2 ARG A 23 -1.488 -3.640 11.724 1.00 1.08 H new ATOM 0 HG3 ARG A 23 -2.820 -4.134 10.698 1.00 1.08 H new ATOM 0 HD2 ARG A 23 -1.421 -6.024 9.807 1.00 1.77 H new ATOM 0 HD3 ARG A 23 -0.105 -5.536 10.856 1.00 1.77 H new ATOM 0 HE ARG A 23 -1.372 -6.209 12.787 1.00 2.10 H new ATOM 0 HH11 ARG A 23 -3.104 -7.047 9.779 1.00 4.90 H new ATOM 0 HH12 ARG A 23 -4.100 -8.242 10.617 1.00 4.90 H new ATOM 0 HH21 ARG A 23 -2.657 -7.736 13.739 1.00 3.42 H new ATOM 0 HH22 ARG A 23 -3.855 -8.618 12.786 1.00 3.42 H new ATOM 344 N ALA A 24 -3.255 -1.908 7.363 1.00 0.81 N ATOM 345 CA ALA A 24 -4.544 -1.318 7.006 1.00 0.88 C ATOM 346 C ALA A 24 -5.240 -2.100 5.881 1.00 0.78 C ATOM 347 O ALA A 24 -6.442 -2.358 5.993 1.00 0.86 O ATOM 348 CB ALA A 24 -4.355 0.159 6.634 1.00 1.00 C ATOM 0 H ALA A 24 -2.452 -1.372 7.035 1.00 0.81 H new ATOM 0 HA ALA A 24 -5.200 -1.377 7.874 1.00 0.88 H new ATOM 0 HB1 ALA A 24 -5.319 0.594 6.369 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -3.936 0.697 7.484 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.676 0.236 5.785 1.00 1.00 H new ATOM 354 N ILE A 25 -4.500 -2.500 4.841 1.00 0.69 N ATOM 355 CA ILE A 25 -4.991 -3.304 3.708 1.00 0.66 C ATOM 356 C ILE A 25 -5.351 -4.724 4.148 1.00 0.60 C ATOM 357 O ILE A 25 -6.296 -5.288 3.606 1.00 0.61 O ATOM 358 CB ILE A 25 -3.943 -3.328 2.572 1.00 0.71 C ATOM 359 CG1 ILE A 25 -3.701 -1.918 1.986 1.00 0.77 C ATOM 360 CG2 ILE A 25 -4.416 -4.281 1.457 1.00 0.85 C ATOM 361 CD1 ILE A 25 -2.421 -1.831 1.145 1.00 1.09 C ATOM 0 H ILE A 25 -3.510 -2.267 4.759 1.00 0.69 H new ATOM 0 HA ILE A 25 -5.901 -2.837 3.331 1.00 0.66 H new ATOM 0 HB ILE A 25 -3.000 -3.680 2.990 1.00 0.71 H new ATOM 0 HG12 ILE A 25 -4.554 -1.635 1.370 1.00 0.77 H new ATOM 0 HG13 ILE A 25 -3.644 -1.197 2.801 1.00 0.77 H new ATOM 0 HG21 ILE A 25 -3.677 -4.298 0.656 1.00 0.85 H new ATOM 0 HG22 ILE A 25 -4.535 -5.286 1.863 1.00 0.85 H new ATOM 0 HG23 ILE A 25 -5.371 -3.934 1.063 1.00 0.85 H new ATOM 0 HD11 ILE A 25 -2.306 -0.817 0.761 1.00 1.09 H new ATOM 0 HD12 ILE A 25 -1.561 -2.084 1.765 1.00 1.09 H new ATOM 0 HD13 ILE A 25 -2.486 -2.530 0.311 1.00 1.09 H new ATOM 373 N ALA A 26 -4.683 -5.271 5.166 1.00 0.58 N ATOM 374 CA ALA A 26 -4.947 -6.611 5.715 1.00 0.57 C ATOM 375 C ALA A 26 -6.420 -6.905 6.094 1.00 0.62 C ATOM 376 O ALA A 26 -6.764 -8.053 6.352 1.00 0.72 O ATOM 377 CB ALA A 26 -4.013 -6.835 6.912 1.00 0.60 C ATOM 0 H ALA A 26 -3.925 -4.786 5.646 1.00 0.58 H new ATOM 0 HA ALA A 26 -4.746 -7.320 4.911 1.00 0.57 H new ATOM 0 HB1 ALA A 26 -4.193 -7.824 7.334 1.00 0.60 H new ATOM 0 HB2 ALA A 26 -2.976 -6.764 6.583 1.00 0.60 H new ATOM 0 HB3 ALA A 26 -4.205 -6.076 7.671 1.00 0.60 H new ATOM 383 N LYS A 27 -7.300 -5.894 6.165 1.00 0.65 N ATOM 384 CA LYS A 27 -8.747 -6.054 6.330 1.00 0.74 C ATOM 385 C LYS A 27 -9.554 -6.056 5.010 1.00 0.76 C ATOM 386 O LYS A 27 -10.759 -6.284 5.049 1.00 0.83 O ATOM 387 CB LYS A 27 -9.252 -4.932 7.246 1.00 0.88 C ATOM 388 CG LYS A 27 -8.603 -4.965 8.640 1.00 0.99 C ATOM 389 CD LYS A 27 -7.324 -4.131 8.827 1.00 1.51 C ATOM 390 CE LYS A 27 -7.602 -2.663 9.189 1.00 2.31 C ATOM 391 NZ LYS A 27 -8.239 -1.914 8.078 1.00 3.99 N ATOM 0 H LYS A 27 -7.013 -4.917 6.107 1.00 0.65 H new ATOM 0 HA LYS A 27 -8.908 -7.041 6.764 1.00 0.74 H new ATOM 0 HB2 LYS A 27 -9.050 -3.968 6.778 1.00 0.88 H new ATOM 0 HB3 LYS A 27 -10.334 -5.014 7.352 1.00 0.88 H new ATOM 0 HG2 LYS A 27 -9.341 -4.624 9.367 1.00 0.99 H new ATOM 0 HG3 LYS A 27 -8.371 -6.002 8.883 1.00 0.99 H new ATOM 0 HD2 LYS A 27 -6.716 -4.582 9.611 1.00 1.51 H new ATOM 0 HD3 LYS A 27 -6.738 -4.167 7.909 1.00 1.51 H new ATOM 0 HE2 LYS A 27 -8.248 -2.625 10.066 1.00 2.31 H new ATOM 0 HE3 LYS A 27 -6.666 -2.176 9.461 1.00 2.31 H new ATOM 0 HZ1 LYS A 27 -8.175 -0.893 8.266 1.00 3.99 H new ATOM 0 HZ2 LYS A 27 -7.750 -2.133 7.187 1.00 3.99 H new ATOM 0 HZ3 LYS A 27 -9.239 -2.190 8.001 1.00 3.99 H new ATOM 405 N VAL A 28 -8.947 -5.764 3.861 1.00 0.74 N ATOM 406 CA VAL A 28 -9.586 -5.841 2.536 1.00 0.93 C ATOM 407 C VAL A 28 -9.648 -7.318 2.144 1.00 0.99 C ATOM 408 O VAL A 28 -8.598 -7.962 2.169 1.00 0.84 O ATOM 409 CB VAL A 28 -8.794 -5.042 1.472 1.00 0.97 C ATOM 410 CG1 VAL A 28 -9.415 -5.173 0.071 1.00 1.30 C ATOM 411 CG2 VAL A 28 -8.732 -3.548 1.840 1.00 1.12 C ATOM 0 H VAL A 28 -7.974 -5.460 3.818 1.00 0.74 H new ATOM 0 HA VAL A 28 -10.583 -5.403 2.584 1.00 0.93 H new ATOM 0 HB VAL A 28 -7.790 -5.466 1.455 1.00 0.97 H new ATOM 0 HG11 VAL A 28 -8.827 -4.596 -0.643 1.00 1.30 H new ATOM 0 HG12 VAL A 28 -9.422 -6.221 -0.227 1.00 1.30 H new ATOM 0 HG13 VAL A 28 -10.437 -4.794 0.089 1.00 1.30 H new ATOM 0 HG21 VAL A 28 -8.171 -3.008 1.077 1.00 1.12 H new ATOM 0 HG22 VAL A 28 -9.743 -3.146 1.899 1.00 1.12 H new ATOM 0 HG23 VAL A 28 -8.238 -3.431 2.805 1.00 1.12 H new ATOM 421 N PRO A 29 -10.822 -7.875 1.790 1.00 1.35 N ATOM 422 CA PRO A 29 -10.985 -9.319 1.661 1.00 1.61 C ATOM 423 C PRO A 29 -10.067 -9.916 0.591 1.00 1.76 C ATOM 424 O PRO A 29 -9.507 -10.989 0.791 1.00 2.97 O ATOM 425 CB PRO A 29 -12.473 -9.554 1.367 1.00 2.02 C ATOM 426 CG PRO A 29 -12.968 -8.209 0.834 1.00 2.08 C ATOM 427 CD PRO A 29 -12.100 -7.206 1.592 1.00 1.66 C ATOM 0 HA PRO A 29 -10.690 -9.830 2.578 1.00 1.61 H new ATOM 0 HB2 PRO A 29 -12.613 -10.349 0.634 1.00 2.02 H new ATOM 0 HB3 PRO A 29 -13.014 -9.850 2.266 1.00 2.02 H new ATOM 0 HG2 PRO A 29 -12.833 -8.127 -0.245 1.00 2.08 H new ATOM 0 HG3 PRO A 29 -14.029 -8.060 1.035 1.00 2.08 H new ATOM 0 HD2 PRO A 29 -11.977 -6.284 1.024 1.00 1.66 H new ATOM 0 HD3 PRO A 29 -12.554 -6.935 2.545 1.00 1.66 H new ATOM 435 N GLY A 30 -9.810 -9.181 -0.498 1.00 1.11 N ATOM 436 CA GLY A 30 -8.973 -9.631 -1.615 1.00 1.16 C ATOM 437 C GLY A 30 -7.462 -9.511 -1.403 1.00 0.99 C ATOM 438 O GLY A 30 -6.727 -9.583 -2.387 1.00 1.01 O ATOM 0 H GLY A 30 -10.185 -8.241 -0.629 1.00 1.11 H new ATOM 0 HA2 GLY A 30 -9.210 -10.674 -1.825 1.00 1.16 H new ATOM 0 HA3 GLY A 30 -9.244 -9.058 -2.502 1.00 1.16 H new ATOM 442 N VAL A 31 -7.006 -9.292 -0.163 1.00 0.93 N ATOM 443 CA VAL A 31 -5.581 -9.252 0.208 1.00 0.81 C ATOM 444 C VAL A 31 -4.944 -10.608 -0.124 1.00 0.98 C ATOM 445 O VAL A 31 -5.123 -11.616 0.552 1.00 1.32 O ATOM 446 CB VAL A 31 -5.363 -8.810 1.679 1.00 0.83 C ATOM 447 CG1 VAL A 31 -5.974 -9.719 2.762 1.00 1.23 C ATOM 448 CG2 VAL A 31 -3.862 -8.621 1.951 1.00 0.99 C ATOM 0 H VAL A 31 -7.629 -9.134 0.629 1.00 0.93 H new ATOM 0 HA VAL A 31 -5.077 -8.485 -0.380 1.00 0.81 H new ATOM 0 HB VAL A 31 -5.911 -7.872 1.764 1.00 0.83 H new ATOM 0 HG11 VAL A 31 -5.756 -9.308 3.748 1.00 1.23 H new ATOM 0 HG12 VAL A 31 -7.054 -9.775 2.623 1.00 1.23 H new ATOM 0 HG13 VAL A 31 -5.545 -10.718 2.683 1.00 1.23 H new ATOM 0 HG21 VAL A 31 -3.716 -8.311 2.986 1.00 0.99 H new ATOM 0 HG22 VAL A 31 -3.339 -9.562 1.777 1.00 0.99 H new ATOM 0 HG23 VAL A 31 -3.465 -7.856 1.283 1.00 0.99 H new ATOM 458 N GLN A 32 -4.212 -10.599 -1.229 1.00 0.91 N ATOM 459 CA GLN A 32 -3.387 -11.691 -1.743 1.00 1.30 C ATOM 460 C GLN A 32 -2.118 -11.815 -0.903 1.00 0.88 C ATOM 461 O GLN A 32 -1.599 -12.911 -0.761 1.00 1.04 O ATOM 462 CB GLN A 32 -2.992 -11.310 -3.177 1.00 2.15 C ATOM 463 CG GLN A 32 -3.274 -12.293 -4.313 1.00 1.51 C ATOM 464 CD GLN A 32 -2.434 -13.587 -4.322 1.00 1.74 C ATOM 465 OE1 GLN A 32 -2.589 -14.414 -5.202 1.00 2.33 O ATOM 466 NE2 GLN A 32 -1.459 -13.781 -3.451 1.00 1.77 N ATOM 0 H GLN A 32 -4.174 -9.777 -1.832 1.00 0.91 H new ATOM 0 HA GLN A 32 -3.929 -12.636 -1.710 1.00 1.30 H new ATOM 0 HB2 GLN A 32 -3.497 -10.375 -3.419 1.00 2.15 H new ATOM 0 HB3 GLN A 32 -1.922 -11.104 -3.179 1.00 2.15 H new ATOM 0 HG2 GLN A 32 -4.328 -12.569 -4.272 1.00 1.51 H new ATOM 0 HG3 GLN A 32 -3.116 -11.776 -5.260 1.00 1.51 H new ATOM 0 HE21 GLN A 32 -1.303 -13.107 -2.702 1.00 1.77 H new ATOM 0 HE22 GLN A 32 -0.863 -14.605 -3.528 1.00 1.77 H new ATOM 475 N SER A 33 -1.632 -10.670 -0.414 1.00 0.63 N ATOM 476 CA SER A 33 -0.637 -10.435 0.650 1.00 0.77 C ATOM 477 C SER A 33 0.051 -9.088 0.394 1.00 0.68 C ATOM 478 O SER A 33 0.222 -8.690 -0.761 1.00 0.98 O ATOM 479 CB SER A 33 0.368 -11.576 0.881 1.00 1.60 C ATOM 480 OG SER A 33 1.163 -11.301 2.020 1.00 2.57 O ATOM 0 H SER A 33 -1.960 -9.782 -0.794 1.00 0.63 H new ATOM 0 HA SER A 33 -1.183 -10.405 1.593 1.00 0.77 H new ATOM 0 HB2 SER A 33 -0.164 -12.517 1.018 1.00 1.60 H new ATOM 0 HB3 SER A 33 1.004 -11.694 0.004 1.00 1.60 H new ATOM 0 HG SER A 33 2.073 -11.074 1.737 1.00 2.57 H new ATOM 486 N CYS A 34 0.420 -8.366 1.457 1.00 0.67 N ATOM 487 CA CYS A 34 0.964 -7.004 1.387 1.00 0.55 C ATOM 488 C CYS A 34 2.448 -6.974 1.745 1.00 0.74 C ATOM 489 O CYS A 34 2.840 -7.453 2.808 1.00 1.39 O ATOM 490 CB CYS A 34 0.208 -6.122 2.385 1.00 0.69 C ATOM 491 SG CYS A 34 -1.538 -5.986 1.956 1.00 1.26 S ATOM 0 H CYS A 34 0.348 -8.719 2.411 1.00 0.67 H new ATOM 0 HA CYS A 34 0.846 -6.641 0.366 1.00 0.55 H new ATOM 0 HB2 CYS A 34 0.306 -6.539 3.387 1.00 0.69 H new ATOM 0 HB3 CYS A 34 0.657 -5.129 2.407 1.00 0.69 H new ATOM 0 HG CYS A 34 -2.239 -5.823 3.038 1.00 1.26 H new ATOM 497 N GLN A 35 3.247 -6.370 0.871 1.00 0.38 N ATOM 498 CA GLN A 35 4.680 -6.220 1.046 1.00 0.41 C ATOM 499 C GLN A 35 5.084 -4.818 0.564 1.00 0.40 C ATOM 500 O GLN A 35 4.878 -4.505 -0.609 1.00 0.47 O ATOM 501 CB GLN A 35 5.417 -7.283 0.195 1.00 0.51 C ATOM 502 CG GLN A 35 5.158 -8.774 0.512 1.00 1.03 C ATOM 503 CD GLN A 35 3.768 -9.327 0.158 1.00 1.94 C ATOM 504 OE1 GLN A 35 3.166 -10.052 0.933 1.00 3.37 O ATOM 505 NE2 GLN A 35 3.174 -9.027 -0.982 1.00 2.28 N ATOM 0 H GLN A 35 2.903 -5.963 0.001 1.00 0.38 H new ATOM 0 HA GLN A 35 4.945 -6.351 2.095 1.00 0.41 H new ATOM 0 HB2 GLN A 35 5.156 -7.114 -0.850 1.00 0.51 H new ATOM 0 HB3 GLN A 35 6.488 -7.103 0.290 1.00 0.51 H new ATOM 0 HG2 GLN A 35 5.904 -9.368 -0.016 1.00 1.03 H new ATOM 0 HG3 GLN A 35 5.323 -8.928 1.578 1.00 1.03 H new ATOM 0 HE21 GLN A 35 3.643 -8.424 -1.658 1.00 2.28 H new ATOM 0 HE22 GLN A 35 2.246 -9.398 -1.187 1.00 2.28 H new ATOM 514 N VAL A 36 5.696 -3.997 1.419 1.00 0.45 N ATOM 515 CA VAL A 36 6.452 -2.784 1.071 1.00 0.39 C ATOM 516 C VAL A 36 7.848 -2.848 1.700 1.00 0.43 C ATOM 517 O VAL A 36 8.043 -3.356 2.803 1.00 0.65 O ATOM 518 CB VAL A 36 5.703 -1.442 1.369 1.00 0.77 C ATOM 519 CG1 VAL A 36 4.729 -1.507 2.550 1.00 1.61 C ATOM 520 CG2 VAL A 36 6.623 -0.221 1.592 1.00 1.42 C ATOM 0 H VAL A 36 5.679 -4.165 2.425 1.00 0.45 H new ATOM 0 HA VAL A 36 6.557 -2.772 -0.014 1.00 0.39 H new ATOM 0 HB VAL A 36 5.144 -1.302 0.444 1.00 0.77 H new ATOM 0 HG11 VAL A 36 4.255 -0.535 2.685 1.00 1.61 H new ATOM 0 HG12 VAL A 36 3.965 -2.259 2.351 1.00 1.61 H new ATOM 0 HG13 VAL A 36 5.273 -1.774 3.456 1.00 1.61 H new ATOM 0 HG21 VAL A 36 6.015 0.661 1.791 1.00 1.42 H new ATOM 0 HG22 VAL A 36 7.278 -0.410 2.442 1.00 1.42 H new ATOM 0 HG23 VAL A 36 7.226 -0.052 0.700 1.00 1.42 H new ATOM 530 N ASN A 37 8.836 -2.345 0.958 1.00 0.43 N ATOM 531 CA ASN A 37 10.239 -2.317 1.351 1.00 0.59 C ATOM 532 C ASN A 37 10.661 -0.920 1.840 1.00 0.70 C ATOM 533 O ASN A 37 10.856 -0.004 1.038 1.00 0.78 O ATOM 534 CB ASN A 37 11.081 -2.773 0.153 1.00 0.72 C ATOM 535 CG ASN A 37 12.543 -2.884 0.546 1.00 1.05 C ATOM 536 OD1 ASN A 37 13.299 -1.930 0.433 1.00 0.92 O ATOM 537 ND2 ASN A 37 12.977 -4.018 1.057 1.00 1.88 N ATOM 0 H ASN A 37 8.673 -1.934 0.039 1.00 0.43 H new ATOM 0 HA ASN A 37 10.399 -2.994 2.190 1.00 0.59 H new ATOM 0 HB2 ASN A 37 10.720 -3.736 -0.207 1.00 0.72 H new ATOM 0 HB3 ASN A 37 10.971 -2.064 -0.668 1.00 0.72 H new ATOM 0 HD21 ASN A 37 13.947 -4.103 1.360 1.00 1.88 H new ATOM 0 HD22 ASN A 37 12.343 -4.811 1.149 1.00 1.88 H new ATOM 544 N PHE A 38 10.907 -0.783 3.145 1.00 0.74 N ATOM 545 CA PHE A 38 11.246 0.484 3.812 1.00 0.87 C ATOM 546 C PHE A 38 12.663 1.013 3.536 1.00 0.85 C ATOM 547 O PHE A 38 13.228 1.685 4.395 1.00 1.05 O ATOM 548 CB PHE A 38 10.986 0.341 5.324 1.00 1.03 C ATOM 549 CG PHE A 38 9.689 -0.368 5.614 1.00 2.53 C ATOM 550 CD1 PHE A 38 8.492 0.158 5.097 1.00 3.46 C ATOM 551 CD2 PHE A 38 9.704 -1.634 6.223 1.00 4.22 C ATOM 552 CE1 PHE A 38 7.317 -0.601 5.154 1.00 5.47 C ATOM 553 CE2 PHE A 38 8.527 -2.394 6.267 1.00 6.23 C ATOM 554 CZ PHE A 38 7.337 -1.886 5.720 1.00 6.74 C ATOM 0 H PHE A 38 10.876 -1.573 3.790 1.00 0.74 H new ATOM 0 HA PHE A 38 10.595 1.243 3.378 1.00 0.87 H new ATOM 0 HB2 PHE A 38 11.809 -0.208 5.782 1.00 1.03 H new ATOM 0 HB3 PHE A 38 10.968 1.330 5.783 1.00 1.03 H new ATOM 0 HD1 PHE A 38 8.479 1.144 4.657 1.00 3.46 H new ATOM 0 HD2 PHE A 38 10.616 -2.019 6.654 1.00 4.22 H new ATOM 0 HE1 PHE A 38 6.395 -0.198 4.762 1.00 5.47 H new ATOM 0 HE2 PHE A 38 8.535 -3.373 6.723 1.00 6.23 H new ATOM 0 HZ PHE A 38 6.438 -2.484 5.735 1.00 6.74 H new ATOM 564 N ALA A 39 13.258 0.700 2.378 1.00 0.81 N ATOM 565 CA ALA A 39 14.587 1.182 2.017 1.00 0.92 C ATOM 566 C ALA A 39 14.720 1.516 0.523 1.00 0.93 C ATOM 567 O ALA A 39 15.418 2.462 0.176 1.00 1.11 O ATOM 568 CB ALA A 39 15.622 0.138 2.456 1.00 0.99 C ATOM 0 H ALA A 39 12.828 0.106 1.669 1.00 0.81 H new ATOM 0 HA ALA A 39 14.765 2.123 2.537 1.00 0.92 H new ATOM 0 HB1 ALA A 39 16.622 0.484 2.193 1.00 0.99 H new ATOM 0 HB2 ALA A 39 15.560 -0.005 3.535 1.00 0.99 H new ATOM 0 HB3 ALA A 39 15.421 -0.808 1.953 1.00 0.99 H new ATOM 574 N LEU A 40 14.037 0.772 -0.359 1.00 0.81 N ATOM 575 CA LEU A 40 13.962 1.010 -1.794 1.00 0.85 C ATOM 576 C LEU A 40 12.536 1.454 -2.227 1.00 0.83 C ATOM 577 O LEU A 40 12.254 1.658 -3.406 1.00 1.04 O ATOM 578 CB LEU A 40 14.550 -0.285 -2.410 1.00 0.82 C ATOM 579 CG LEU A 40 14.176 -0.616 -3.849 1.00 0.87 C ATOM 580 CD1 LEU A 40 14.700 0.409 -4.870 1.00 0.97 C ATOM 581 CD2 LEU A 40 14.714 -2.004 -4.230 1.00 0.87 C ATOM 0 H LEU A 40 13.501 -0.046 -0.071 1.00 0.81 H new ATOM 0 HA LEU A 40 14.540 1.858 -2.162 1.00 0.85 H new ATOM 0 HB2 LEU A 40 15.637 -0.221 -2.352 1.00 0.82 H new ATOM 0 HB3 LEU A 40 14.246 -1.123 -1.783 1.00 0.82 H new ATOM 0 HG LEU A 40 13.087 -0.593 -3.888 1.00 0.87 H new ATOM 0 HD11 LEU A 40 14.397 0.111 -5.874 1.00 0.97 H new ATOM 0 HD12 LEU A 40 14.287 1.392 -4.643 1.00 0.97 H new ATOM 0 HD13 LEU A 40 15.788 0.452 -4.817 1.00 0.97 H new ATOM 0 HD21 LEU A 40 14.441 -2.230 -5.261 1.00 0.87 H new ATOM 0 HD22 LEU A 40 15.800 -2.013 -4.132 1.00 0.87 H new ATOM 0 HD23 LEU A 40 14.284 -2.755 -3.568 1.00 0.87 H new ATOM 593 N GLU A 41 11.617 1.622 -1.272 1.00 0.81 N ATOM 594 CA GLU A 41 10.341 2.340 -1.411 1.00 0.86 C ATOM 595 C GLU A 41 9.300 1.623 -2.289 1.00 0.48 C ATOM 596 O GLU A 41 8.271 2.219 -2.592 1.00 0.36 O ATOM 597 CB GLU A 41 10.540 3.803 -1.881 1.00 1.35 C ATOM 598 CG GLU A 41 11.487 4.611 -0.982 1.00 1.76 C ATOM 599 CD GLU A 41 11.529 6.093 -1.359 1.00 2.31 C ATOM 600 OE1 GLU A 41 10.458 6.732 -1.454 1.00 3.00 O ATOM 601 OE2 GLU A 41 12.640 6.657 -1.447 1.00 3.20 O ATOM 0 H GLU A 41 11.746 1.243 -0.334 1.00 0.81 H new ATOM 0 HA GLU A 41 9.927 2.353 -0.403 1.00 0.86 H new ATOM 0 HB2 GLU A 41 10.932 3.800 -2.898 1.00 1.35 H new ATOM 0 HB3 GLU A 41 9.571 4.301 -1.915 1.00 1.35 H new ATOM 0 HG2 GLU A 41 11.170 4.512 0.056 1.00 1.76 H new ATOM 0 HG3 GLU A 41 12.492 4.193 -1.050 1.00 1.76 H new ATOM 608 N GLN A 42 9.511 0.377 -2.742 1.00 0.46 N ATOM 609 CA GLN A 42 8.443 -0.332 -3.459 1.00 0.38 C ATOM 610 C GLN A 42 7.342 -0.820 -2.521 1.00 0.31 C ATOM 611 O GLN A 42 7.629 -1.254 -1.409 1.00 0.38 O ATOM 612 CB GLN A 42 8.964 -1.504 -4.298 1.00 0.49 C ATOM 613 CG GLN A 42 9.239 -2.780 -3.467 1.00 0.54 C ATOM 614 CD GLN A 42 10.475 -3.505 -3.948 1.00 0.44 C ATOM 615 OE1 GLN A 42 10.444 -4.423 -4.744 1.00 1.47 O ATOM 616 NE2 GLN A 42 11.627 -3.070 -3.482 1.00 1.16 N ATOM 0 H GLN A 42 10.380 -0.145 -2.630 1.00 0.46 H new ATOM 0 HA GLN A 42 8.019 0.406 -4.140 1.00 0.38 H new ATOM 0 HB2 GLN A 42 8.237 -1.736 -5.076 1.00 0.49 H new ATOM 0 HB3 GLN A 42 9.883 -1.201 -4.800 1.00 0.49 H new ATOM 0 HG2 GLN A 42 9.360 -2.512 -2.417 1.00 0.54 H new ATOM 0 HG3 GLN A 42 8.379 -3.447 -3.529 1.00 0.54 H new ATOM 0 HE21 GLN A 42 11.649 -2.299 -2.814 1.00 1.16 H new ATOM 0 HE22 GLN A 42 12.498 -3.504 -3.789 1.00 1.16 H new ATOM 625 N ALA A 43 6.117 -0.881 -3.039 1.00 0.31 N ATOM 626 CA ALA A 43 5.107 -1.829 -2.583 1.00 0.35 C ATOM 627 C ALA A 43 4.836 -2.878 -3.665 1.00 0.59 C ATOM 628 O ALA A 43 4.985 -2.605 -4.859 1.00 0.95 O ATOM 629 CB ALA A 43 3.829 -1.074 -2.199 1.00 0.49 C ATOM 0 H ALA A 43 5.797 -0.270 -3.791 1.00 0.31 H new ATOM 0 HA ALA A 43 5.472 -2.354 -1.700 1.00 0.35 H new ATOM 0 HB1 ALA A 43 3.075 -1.784 -1.859 1.00 0.49 H new ATOM 0 HB2 ALA A 43 4.050 -0.368 -1.399 1.00 0.49 H new ATOM 0 HB3 ALA A 43 3.452 -0.533 -3.067 1.00 0.49 H new ATOM 635 N VAL A 44 4.369 -4.056 -3.255 1.00 0.46 N ATOM 636 CA VAL A 44 3.688 -5.016 -4.123 1.00 0.56 C ATOM 637 C VAL A 44 2.520 -5.615 -3.355 1.00 0.63 C ATOM 638 O VAL A 44 2.708 -6.207 -2.292 1.00 0.71 O ATOM 639 CB VAL A 44 4.628 -6.092 -4.721 1.00 0.65 C ATOM 640 CG1 VAL A 44 5.402 -6.932 -3.691 1.00 0.69 C ATOM 641 CG2 VAL A 44 3.861 -7.021 -5.676 1.00 0.76 C ATOM 0 H VAL A 44 4.455 -4.377 -2.291 1.00 0.46 H new ATOM 0 HA VAL A 44 3.314 -4.485 -4.998 1.00 0.56 H new ATOM 0 HB VAL A 44 5.382 -5.522 -5.264 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.031 -7.655 -4.210 1.00 0.69 H new ATOM 0 HG12 VAL A 44 6.027 -6.277 -3.084 1.00 0.69 H new ATOM 0 HG13 VAL A 44 4.697 -7.459 -3.048 1.00 0.69 H new ATOM 0 HG21 VAL A 44 4.543 -7.768 -6.083 1.00 0.76 H new ATOM 0 HG22 VAL A 44 3.059 -7.520 -5.132 1.00 0.76 H new ATOM 0 HG23 VAL A 44 3.437 -6.435 -6.491 1.00 0.76 H new ATOM 651 N VAL A 45 1.308 -5.414 -3.878 1.00 0.67 N ATOM 652 CA VAL A 45 0.065 -5.889 -3.249 1.00 0.64 C ATOM 653 C VAL A 45 -0.963 -6.239 -4.327 1.00 0.61 C ATOM 654 O VAL A 45 -1.231 -5.447 -5.231 1.00 0.64 O ATOM 655 CB VAL A 45 -0.577 -4.856 -2.283 1.00 0.68 C ATOM 656 CG1 VAL A 45 -1.638 -5.523 -1.412 1.00 0.84 C ATOM 657 CG2 VAL A 45 0.425 -4.120 -1.370 1.00 1.06 C ATOM 0 H VAL A 45 1.157 -4.915 -4.754 1.00 0.67 H new ATOM 0 HA VAL A 45 0.342 -6.764 -2.661 1.00 0.64 H new ATOM 0 HB VAL A 45 -1.020 -4.103 -2.935 1.00 0.68 H new ATOM 0 HG11 VAL A 45 -2.076 -4.783 -0.742 1.00 0.84 H new ATOM 0 HG12 VAL A 45 -2.417 -5.945 -2.047 1.00 0.84 H new ATOM 0 HG13 VAL A 45 -1.179 -6.318 -0.824 1.00 0.84 H new ATOM 0 HG21 VAL A 45 -0.112 -3.419 -0.731 1.00 1.06 H new ATOM 0 HG22 VAL A 45 0.953 -4.845 -0.751 1.00 1.06 H new ATOM 0 HG23 VAL A 45 1.143 -3.575 -1.983 1.00 1.06 H new ATOM 667 N SER A 46 -1.605 -7.394 -4.164 1.00 0.63 N ATOM 668 CA SER A 46 -2.944 -7.643 -4.699 1.00 0.61 C ATOM 669 C SER A 46 -3.934 -7.615 -3.537 1.00 0.56 C ATOM 670 O SER A 46 -3.667 -8.151 -2.464 1.00 0.68 O ATOM 671 CB SER A 46 -2.999 -8.966 -5.465 1.00 0.86 C ATOM 672 OG SER A 46 -4.317 -9.475 -5.652 1.00 1.60 O ATOM 0 H SER A 46 -1.211 -8.186 -3.656 1.00 0.63 H new ATOM 0 HA SER A 46 -3.209 -6.867 -5.417 1.00 0.61 H new ATOM 0 HB2 SER A 46 -2.532 -8.829 -6.440 1.00 0.86 H new ATOM 0 HB3 SER A 46 -2.407 -9.708 -4.930 1.00 0.86 H new ATOM 0 HG SER A 46 -4.854 -8.819 -6.143 1.00 1.60 H new ATOM 678 N TYR A 47 -5.064 -6.961 -3.768 1.00 0.65 N ATOM 679 CA TYR A 47 -5.967 -6.468 -2.723 1.00 0.72 C ATOM 680 C TYR A 47 -7.373 -6.125 -3.253 1.00 0.86 C ATOM 681 O TYR A 47 -7.863 -5.015 -3.055 1.00 1.44 O ATOM 682 CB TYR A 47 -5.312 -5.352 -1.874 1.00 0.92 C ATOM 683 CG TYR A 47 -4.664 -4.100 -2.488 1.00 0.95 C ATOM 684 CD1 TYR A 47 -3.897 -4.106 -3.678 1.00 1.55 C ATOM 685 CD2 TYR A 47 -4.673 -2.918 -1.722 1.00 1.62 C ATOM 686 CE1 TYR A 47 -3.166 -2.976 -4.087 1.00 1.62 C ATOM 687 CE2 TYR A 47 -3.898 -1.805 -2.090 1.00 1.76 C ATOM 688 CZ TYR A 47 -3.145 -1.822 -3.283 1.00 1.28 C ATOM 689 OH TYR A 47 -2.420 -0.735 -3.667 1.00 1.50 O ATOM 0 H TYR A 47 -5.392 -6.750 -4.711 1.00 0.65 H new ATOM 0 HA TYR A 47 -6.139 -7.294 -2.033 1.00 0.72 H new ATOM 0 HB2 TYR A 47 -6.079 -4.997 -1.186 1.00 0.92 H new ATOM 0 HB3 TYR A 47 -4.542 -5.834 -1.271 1.00 0.92 H new ATOM 0 HD1 TYR A 47 -3.873 -4.999 -4.286 1.00 1.55 H new ATOM 0 HD2 TYR A 47 -5.287 -2.866 -0.835 1.00 1.62 H new ATOM 0 HE1 TYR A 47 -2.621 -2.994 -5.019 1.00 1.62 H new ATOM 0 HE2 TYR A 47 -3.879 -0.931 -1.456 1.00 1.76 H new ATOM 0 HH TYR A 47 -2.829 0.077 -3.301 1.00 1.50 H new ATOM 699 N HIS A 48 -8.012 -7.068 -3.964 1.00 0.78 N ATOM 700 CA HIS A 48 -9.184 -6.763 -4.820 1.00 0.88 C ATOM 701 C HIS A 48 -10.356 -7.764 -4.749 1.00 1.29 C ATOM 702 O HIS A 48 -10.138 -8.975 -4.672 1.00 1.91 O ATOM 703 CB HIS A 48 -8.707 -6.583 -6.267 1.00 1.11 C ATOM 704 CG HIS A 48 -7.643 -5.530 -6.365 1.00 1.19 C ATOM 705 ND1 HIS A 48 -7.856 -4.161 -6.186 1.00 1.09 N ATOM 706 CD2 HIS A 48 -6.305 -5.792 -6.373 1.00 1.40 C ATOM 707 CE1 HIS A 48 -6.635 -3.611 -6.096 1.00 1.23 C ATOM 708 NE2 HIS A 48 -5.689 -4.559 -6.250 1.00 1.45 N ATOM 0 H HIS A 48 -7.741 -8.051 -3.967 1.00 0.78 H new ATOM 0 HA HIS A 48 -9.610 -5.843 -4.421 1.00 0.88 H new ATOM 0 HB2 HIS A 48 -8.320 -7.530 -6.645 1.00 1.11 H new ATOM 0 HB3 HIS A 48 -9.552 -6.309 -6.899 1.00 1.11 H new ATOM 0 HD1 HIS A 48 -8.754 -3.679 -6.134 1.00 1.09 H new ATOM 0 HD2 HIS A 48 -5.827 -6.757 -6.457 1.00 1.40 H new ATOM 0 HE1 HIS A 48 -6.439 -2.563 -5.925 1.00 1.23 H new ATOM 716 N GLY A 49 -11.590 -7.250 -4.804 1.00 1.58 N ATOM 717 CA GLY A 49 -12.840 -8.017 -4.667 1.00 2.26 C ATOM 718 C GLY A 49 -13.978 -7.466 -5.526 1.00 2.36 C ATOM 719 O GLY A 49 -13.734 -6.775 -6.512 1.00 3.21 O ATOM 0 H GLY A 49 -11.755 -6.254 -4.950 1.00 1.58 H new ATOM 0 HA2 GLY A 49 -12.654 -9.055 -4.943 1.00 2.26 H new ATOM 0 HA3 GLY A 49 -13.148 -8.015 -3.621 1.00 2.26 H new ATOM 723 N GLU A 50 -15.218 -7.766 -5.133 1.00 2.49 N ATOM 724 CA GLU A 50 -16.463 -7.590 -5.900 1.00 2.66 C ATOM 725 C GLU A 50 -16.658 -6.170 -6.460 1.00 2.83 C ATOM 726 O GLU A 50 -17.197 -6.011 -7.555 1.00 3.66 O ATOM 727 CB GLU A 50 -17.689 -7.968 -5.039 1.00 3.19 C ATOM 728 CG GLU A 50 -17.680 -9.393 -4.456 1.00 3.61 C ATOM 729 CD GLU A 50 -17.027 -9.450 -3.071 1.00 4.25 C ATOM 730 OE1 GLU A 50 -15.778 -9.359 -3.022 1.00 4.42 O ATOM 731 OE2 GLU A 50 -17.778 -9.531 -2.077 1.00 5.26 O ATOM 0 H GLU A 50 -15.396 -8.165 -4.211 1.00 2.49 H new ATOM 0 HA GLU A 50 -16.373 -8.259 -6.756 1.00 2.66 H new ATOM 0 HB2 GLU A 50 -17.764 -7.258 -4.215 1.00 3.19 H new ATOM 0 HB3 GLU A 50 -18.587 -7.849 -5.645 1.00 3.19 H new ATOM 0 HG2 GLU A 50 -18.703 -9.762 -4.388 1.00 3.61 H new ATOM 0 HG3 GLU A 50 -17.146 -10.058 -5.135 1.00 3.61 H new ATOM 738 N THR A 51 -16.182 -5.147 -5.739 1.00 2.63 N ATOM 739 CA THR A 51 -15.906 -3.786 -6.229 1.00 2.63 C ATOM 740 C THR A 51 -14.948 -3.123 -5.245 1.00 2.76 C ATOM 741 O THR A 51 -15.364 -2.614 -4.206 1.00 3.94 O ATOM 742 CB THR A 51 -17.192 -2.968 -6.436 1.00 3.18 C ATOM 743 OG1 THR A 51 -17.850 -3.459 -7.573 1.00 3.67 O ATOM 744 CG2 THR A 51 -16.940 -1.485 -6.731 1.00 4.04 C ATOM 0 H THR A 51 -15.967 -5.249 -4.747 1.00 2.63 H new ATOM 0 HA THR A 51 -15.444 -3.836 -7.215 1.00 2.63 H new ATOM 0 HB THR A 51 -17.759 -3.059 -5.509 1.00 3.18 H new ATOM 0 HG1 THR A 51 -17.397 -4.268 -7.889 1.00 3.67 H new ATOM 0 HG21 THR A 51 -17.893 -0.974 -6.865 1.00 4.04 H new ATOM 0 HG22 THR A 51 -16.401 -1.035 -5.898 1.00 4.04 H new ATOM 0 HG23 THR A 51 -16.347 -1.391 -7.640 1.00 4.04 H new ATOM 752 N THR A 52 -13.652 -3.124 -5.572 1.00 2.30 N ATOM 753 CA THR A 52 -12.585 -2.448 -4.809 1.00 2.57 C ATOM 754 C THR A 52 -12.035 -1.262 -5.615 1.00 1.32 C ATOM 755 O THR A 52 -11.205 -1.477 -6.498 1.00 2.06 O ATOM 756 CB THR A 52 -11.471 -3.431 -4.429 1.00 4.09 C ATOM 757 OG1 THR A 52 -11.155 -4.229 -5.544 1.00 4.39 O ATOM 758 CG2 THR A 52 -11.917 -4.335 -3.278 1.00 5.84 C ATOM 0 H THR A 52 -13.301 -3.608 -6.398 1.00 2.30 H new ATOM 0 HA THR A 52 -13.008 -2.066 -3.880 1.00 2.57 H new ATOM 0 HB THR A 52 -10.597 -2.862 -4.112 1.00 4.09 H new ATOM 0 HG1 THR A 52 -11.023 -3.657 -6.329 1.00 4.39 H new ATOM 0 HG21 THR A 52 -11.112 -5.025 -3.024 1.00 5.84 H new ATOM 0 HG22 THR A 52 -12.159 -3.724 -2.408 1.00 5.84 H new ATOM 0 HG23 THR A 52 -12.798 -4.901 -3.580 1.00 5.84 H new ATOM 766 N PRO A 53 -12.503 -0.023 -5.351 1.00 1.63 N ATOM 767 CA PRO A 53 -12.067 1.180 -6.056 1.00 2.22 C ATOM 768 C PRO A 53 -10.783 1.742 -5.412 1.00 1.53 C ATOM 769 O PRO A 53 -9.981 0.989 -4.864 1.00 1.42 O ATOM 770 CB PRO A 53 -13.291 2.105 -5.978 1.00 4.09 C ATOM 771 CG PRO A 53 -13.842 1.810 -4.586 1.00 4.51 C ATOM 772 CD PRO A 53 -13.603 0.306 -4.449 1.00 3.32 C ATOM 0 HA PRO A 53 -11.780 1.024 -7.096 1.00 2.22 H new ATOM 0 HB2 PRO A 53 -13.015 3.153 -6.091 1.00 4.09 H new ATOM 0 HB3 PRO A 53 -14.019 1.881 -6.758 1.00 4.09 H new ATOM 0 HG2 PRO A 53 -13.320 2.376 -3.814 1.00 4.51 H new ATOM 0 HG3 PRO A 53 -14.899 2.062 -4.506 1.00 4.51 H new ATOM 0 HD2 PRO A 53 -13.353 0.045 -3.421 1.00 3.32 H new ATOM 0 HD3 PRO A 53 -14.500 -0.255 -4.711 1.00 3.32 H new ATOM 780 N GLN A 54 -10.587 3.066 -5.442 1.00 1.46 N ATOM 781 CA GLN A 54 -9.377 3.776 -4.998 1.00 1.21 C ATOM 782 C GLN A 54 -9.023 3.618 -3.501 1.00 0.94 C ATOM 783 O GLN A 54 -8.030 4.169 -3.046 1.00 1.00 O ATOM 784 CB GLN A 54 -9.497 5.247 -5.448 1.00 1.80 C ATOM 785 CG GLN A 54 -8.163 6.016 -5.389 1.00 3.23 C ATOM 786 CD GLN A 54 -8.148 7.294 -6.223 1.00 4.17 C ATOM 787 OE1 GLN A 54 -9.160 7.784 -6.690 1.00 3.94 O ATOM 788 NE2 GLN A 54 -6.989 7.865 -6.475 1.00 5.55 N ATOM 0 H GLN A 54 -11.301 3.704 -5.793 1.00 1.46 H new ATOM 0 HA GLN A 54 -8.519 3.305 -5.477 1.00 1.21 H new ATOM 0 HB2 GLN A 54 -9.880 5.277 -6.468 1.00 1.80 H new ATOM 0 HB3 GLN A 54 -10.228 5.754 -4.818 1.00 1.80 H new ATOM 0 HG2 GLN A 54 -7.946 6.269 -4.351 1.00 3.23 H new ATOM 0 HG3 GLN A 54 -7.362 5.361 -5.732 1.00 3.23 H new ATOM 0 HE21 GLN A 54 -6.131 7.468 -6.092 1.00 5.55 H new ATOM 0 HE22 GLN A 54 -6.949 8.704 -7.053 1.00 5.55 H new ATOM 797 N ILE A 55 -9.750 2.797 -2.735 1.00 0.91 N ATOM 798 CA ILE A 55 -9.345 2.354 -1.385 1.00 0.90 C ATOM 799 C ILE A 55 -7.983 1.629 -1.394 1.00 0.86 C ATOM 800 O ILE A 55 -7.231 1.697 -0.420 1.00 0.90 O ATOM 801 CB ILE A 55 -10.472 1.501 -0.752 1.00 1.16 C ATOM 802 CG1 ILE A 55 -11.830 2.247 -0.697 1.00 1.38 C ATOM 803 CG2 ILE A 55 -10.099 1.006 0.657 1.00 1.32 C ATOM 804 CD1 ILE A 55 -11.818 3.598 0.034 1.00 2.69 C ATOM 0 H ILE A 55 -10.647 2.414 -3.033 1.00 0.91 H new ATOM 0 HA ILE A 55 -9.199 3.235 -0.760 1.00 0.90 H new ATOM 0 HB ILE A 55 -10.586 0.639 -1.410 1.00 1.16 H new ATOM 0 HG12 ILE A 55 -12.176 2.410 -1.718 1.00 1.38 H new ATOM 0 HG13 ILE A 55 -12.560 1.599 -0.213 1.00 1.38 H new ATOM 0 HG21 ILE A 55 -10.918 0.412 1.063 1.00 1.32 H new ATOM 0 HG22 ILE A 55 -9.199 0.393 0.601 1.00 1.32 H new ATOM 0 HG23 ILE A 55 -9.915 1.862 1.306 1.00 1.32 H new ATOM 0 HD11 ILE A 55 -12.818 4.032 0.013 1.00 2.69 H new ATOM 0 HD12 ILE A 55 -11.509 3.449 1.069 1.00 2.69 H new ATOM 0 HD13 ILE A 55 -11.119 4.273 -0.460 1.00 2.69 H new ATOM 816 N LEU A 56 -7.618 1.020 -2.534 1.00 0.90 N ATOM 817 CA LEU A 56 -6.271 0.497 -2.811 1.00 1.00 C ATOM 818 C LEU A 56 -5.167 1.566 -2.654 1.00 0.91 C ATOM 819 O LEU A 56 -4.010 1.259 -2.363 1.00 1.05 O ATOM 820 CB LEU A 56 -6.292 -0.160 -4.213 1.00 1.20 C ATOM 821 CG LEU A 56 -6.334 0.812 -5.419 1.00 1.17 C ATOM 822 CD1 LEU A 56 -4.924 1.178 -5.918 1.00 1.30 C ATOM 823 CD2 LEU A 56 -7.094 0.197 -6.605 1.00 1.48 C ATOM 0 H LEU A 56 -8.267 0.874 -3.307 1.00 0.90 H new ATOM 0 HA LEU A 56 -6.012 -0.256 -2.067 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.408 -0.790 -4.310 1.00 1.20 H new ATOM 0 HB3 LEU A 56 -7.160 -0.817 -4.271 1.00 1.20 H new ATOM 0 HG LEU A 56 -6.842 1.707 -5.059 1.00 1.17 H new ATOM 0 HD11 LEU A 56 -5.003 1.861 -6.764 1.00 1.30 H new ATOM 0 HD12 LEU A 56 -4.367 1.659 -5.114 1.00 1.30 H new ATOM 0 HD13 LEU A 56 -4.402 0.273 -6.230 1.00 1.30 H new ATOM 0 HD21 LEU A 56 -7.106 0.903 -7.435 1.00 1.48 H new ATOM 0 HD22 LEU A 56 -6.598 -0.722 -6.918 1.00 1.48 H new ATOM 0 HD23 LEU A 56 -8.118 -0.027 -6.304 1.00 1.48 H new ATOM 835 N THR A 57 -5.527 2.828 -2.894 1.00 0.79 N ATOM 836 CA THR A 57 -4.690 4.025 -2.688 1.00 0.83 C ATOM 837 C THR A 57 -4.924 4.660 -1.318 1.00 0.73 C ATOM 838 O THR A 57 -3.951 5.013 -0.661 1.00 0.72 O ATOM 839 CB THR A 57 -4.930 5.062 -3.792 1.00 1.00 C ATOM 840 OG1 THR A 57 -5.000 4.410 -5.039 1.00 1.73 O ATOM 841 CG2 THR A 57 -3.794 6.082 -3.876 1.00 1.76 C ATOM 0 H THR A 57 -6.452 3.061 -3.254 1.00 0.79 H new ATOM 0 HA THR A 57 -3.653 3.693 -2.732 1.00 0.83 H new ATOM 0 HB THR A 57 -5.859 5.578 -3.551 1.00 1.00 H new ATOM 0 HG1 THR A 57 -5.155 5.071 -5.746 1.00 1.73 H new ATOM 0 HG21 THR A 57 -4.005 6.797 -4.671 1.00 1.76 H new ATOM 0 HG22 THR A 57 -3.708 6.610 -2.926 1.00 1.76 H new ATOM 0 HG23 THR A 57 -2.858 5.567 -4.091 1.00 1.76 H new ATOM 849 N ASP A 58 -6.172 4.760 -0.855 1.00 0.71 N ATOM 850 CA ASP A 58 -6.551 5.392 0.428 1.00 0.73 C ATOM 851 C ASP A 58 -5.688 4.916 1.611 1.00 0.65 C ATOM 852 O ASP A 58 -5.181 5.718 2.396 1.00 0.64 O ATOM 853 CB ASP A 58 -8.030 5.081 0.699 1.00 0.81 C ATOM 854 CG ASP A 58 -8.600 5.822 1.911 1.00 1.30 C ATOM 855 OD1 ASP A 58 -8.978 6.999 1.734 1.00 2.22 O ATOM 856 OD2 ASP A 58 -8.702 5.176 2.979 1.00 2.03 O ATOM 0 H ASP A 58 -6.974 4.397 -1.370 1.00 0.71 H new ATOM 0 HA ASP A 58 -6.383 6.465 0.339 1.00 0.73 H new ATOM 0 HB2 ASP A 58 -8.615 5.341 -0.183 1.00 0.81 H new ATOM 0 HB3 ASP A 58 -8.145 4.008 0.853 1.00 0.81 H new ATOM 861 N ALA A 59 -5.414 3.609 1.682 1.00 0.65 N ATOM 862 CA ALA A 59 -4.573 3.028 2.729 1.00 0.66 C ATOM 863 C ALA A 59 -3.072 3.364 2.641 1.00 0.67 C ATOM 864 O ALA A 59 -2.355 3.122 3.609 1.00 0.78 O ATOM 865 CB ALA A 59 -4.827 1.517 2.770 1.00 0.79 C ATOM 0 H ALA A 59 -5.770 2.925 1.014 1.00 0.65 H new ATOM 0 HA ALA A 59 -4.868 3.495 3.669 1.00 0.66 H new ATOM 0 HB1 ALA A 59 -4.208 1.065 3.545 1.00 0.79 H new ATOM 0 HB2 ALA A 59 -5.878 1.331 2.990 1.00 0.79 H new ATOM 0 HB3 ALA A 59 -4.575 1.079 1.804 1.00 0.79 H new ATOM 871 N VAL A 60 -2.613 3.931 1.526 1.00 0.65 N ATOM 872 CA VAL A 60 -1.291 4.580 1.364 1.00 0.67 C ATOM 873 C VAL A 60 -1.363 6.034 1.835 1.00 0.66 C ATOM 874 O VAL A 60 -0.506 6.475 2.606 1.00 0.71 O ATOM 875 CB VAL A 60 -0.805 4.536 -0.111 1.00 0.77 C ATOM 876 CG1 VAL A 60 0.698 4.813 -0.236 1.00 1.49 C ATOM 877 CG2 VAL A 60 -1.068 3.181 -0.801 1.00 2.08 C ATOM 0 H VAL A 60 -3.167 3.957 0.670 1.00 0.65 H new ATOM 0 HA VAL A 60 -0.575 4.027 1.972 1.00 0.67 H new ATOM 0 HB VAL A 60 -1.385 5.317 -0.602 1.00 0.77 H new ATOM 0 HG11 VAL A 60 0.990 4.771 -1.285 1.00 1.49 H new ATOM 0 HG12 VAL A 60 0.920 5.803 0.163 1.00 1.49 H new ATOM 0 HG13 VAL A 60 1.254 4.062 0.325 1.00 1.49 H new ATOM 0 HG21 VAL A 60 -0.704 3.219 -1.828 1.00 2.08 H new ATOM 0 HG22 VAL A 60 -0.547 2.390 -0.261 1.00 2.08 H new ATOM 0 HG23 VAL A 60 -2.138 2.975 -0.802 1.00 2.08 H new ATOM 887 N GLU A 61 -2.435 6.742 1.449 1.00 0.66 N ATOM 888 CA GLU A 61 -2.670 8.152 1.782 1.00 0.74 C ATOM 889 C GLU A 61 -2.723 8.337 3.305 1.00 0.74 C ATOM 890 O GLU A 61 -2.079 9.240 3.837 1.00 0.94 O ATOM 891 CB GLU A 61 -3.979 8.655 1.136 1.00 0.79 C ATOM 892 CG GLU A 61 -4.027 8.598 -0.404 1.00 1.62 C ATOM 893 CD GLU A 61 -3.169 9.657 -1.098 1.00 1.47 C ATOM 894 OE1 GLU A 61 -3.108 10.805 -0.598 1.00 1.68 O ATOM 895 OE2 GLU A 61 -2.577 9.353 -2.163 1.00 2.48 O ATOM 0 H GLU A 61 -3.181 6.338 0.882 1.00 0.66 H new ATOM 0 HA GLU A 61 -1.843 8.741 1.385 1.00 0.74 H new ATOM 0 HB2 GLU A 61 -4.807 8.065 1.529 1.00 0.79 H new ATOM 0 HB3 GLU A 61 -4.145 9.686 1.449 1.00 0.79 H new ATOM 0 HG2 GLU A 61 -3.700 7.611 -0.730 1.00 1.62 H new ATOM 0 HG3 GLU A 61 -5.061 8.715 -0.729 1.00 1.62 H new ATOM 902 N ARG A 62 -3.388 7.423 4.031 1.00 0.61 N ATOM 903 CA ARG A 62 -3.479 7.427 5.502 1.00 0.67 C ATOM 904 C ARG A 62 -2.126 7.494 6.223 1.00 0.62 C ATOM 905 O ARG A 62 -2.093 7.815 7.412 1.00 0.80 O ATOM 906 CB ARG A 62 -4.288 6.204 5.977 1.00 0.80 C ATOM 907 CG ARG A 62 -3.496 4.879 6.006 1.00 1.14 C ATOM 908 CD ARG A 62 -2.688 4.549 7.279 1.00 0.97 C ATOM 909 NE ARG A 62 -3.559 4.355 8.456 1.00 1.55 N ATOM 910 CZ ARG A 62 -3.746 5.195 9.470 1.00 1.90 C ATOM 911 NH1 ARG A 62 -3.172 6.376 9.540 1.00 2.56 N ATOM 912 NH2 ARG A 62 -4.553 4.871 10.458 1.00 2.64 N ATOM 0 H ARG A 62 -3.888 6.644 3.603 1.00 0.61 H new ATOM 0 HA ARG A 62 -3.992 8.350 5.772 1.00 0.67 H new ATOM 0 HB2 ARG A 62 -4.671 6.405 6.978 1.00 0.80 H new ATOM 0 HB3 ARG A 62 -5.152 6.081 5.324 1.00 0.80 H new ATOM 0 HG2 ARG A 62 -4.200 4.065 5.836 1.00 1.14 H new ATOM 0 HG3 ARG A 62 -2.805 4.884 5.163 1.00 1.14 H new ATOM 0 HD2 ARG A 62 -2.100 3.646 7.111 1.00 0.97 H new ATOM 0 HD3 ARG A 62 -1.983 5.356 7.479 1.00 0.97 H new ATOM 0 HE ARG A 62 -4.076 3.477 8.496 1.00 1.55 H new ATOM 0 HH11 ARG A 62 -2.549 6.686 8.794 1.00 2.56 H new ATOM 0 HH12 ARG A 62 -3.349 6.983 10.341 1.00 2.56 H new ATOM 0 HH21 ARG A 62 -5.037 3.973 10.448 1.00 2.64 H new ATOM 0 HH22 ARG A 62 -4.694 5.518 11.234 1.00 2.64 H new ATOM 926 N ALA A 63 -1.031 7.072 5.583 1.00 0.57 N ATOM 927 CA ALA A 63 0.314 7.090 6.158 1.00 0.71 C ATOM 928 C ALA A 63 1.068 8.406 5.880 1.00 0.87 C ATOM 929 O ALA A 63 2.163 8.578 6.408 1.00 1.04 O ATOM 930 CB ALA A 63 1.062 5.858 5.635 1.00 0.79 C ATOM 0 H ALA A 63 -1.057 6.702 4.633 1.00 0.57 H new ATOM 0 HA ALA A 63 0.246 7.045 7.245 1.00 0.71 H new ATOM 0 HB1 ALA A 63 2.071 5.843 6.047 1.00 0.79 H new ATOM 0 HB2 ALA A 63 0.533 4.955 5.939 1.00 0.79 H new ATOM 0 HB3 ALA A 63 1.115 5.899 4.547 1.00 0.79 H new ATOM 936 N GLY A 64 0.489 9.314 5.081 1.00 0.87 N ATOM 937 CA GLY A 64 1.112 10.547 4.607 1.00 0.98 C ATOM 938 C GLY A 64 1.809 10.349 3.265 1.00 0.95 C ATOM 939 O GLY A 64 2.504 11.253 2.806 1.00 1.05 O ATOM 0 H GLY A 64 -0.464 9.200 4.737 1.00 0.87 H new ATOM 0 HA2 GLY A 64 0.354 11.324 4.512 1.00 0.98 H new ATOM 0 HA3 GLY A 64 1.835 10.896 5.344 1.00 0.98 H new ATOM 943 N TYR A 65 1.667 9.167 2.644 1.00 0.85 N ATOM 944 CA TYR A 65 2.503 8.749 1.520 1.00 0.86 C ATOM 945 C TYR A 65 1.671 8.436 0.262 1.00 0.91 C ATOM 946 O TYR A 65 0.475 8.160 0.346 1.00 1.20 O ATOM 947 CB TYR A 65 3.390 7.577 1.976 1.00 0.91 C ATOM 948 CG TYR A 65 4.154 7.781 3.282 1.00 0.90 C ATOM 949 CD1 TYR A 65 4.789 9.009 3.559 1.00 1.81 C ATOM 950 CD2 TYR A 65 4.242 6.735 4.225 1.00 1.89 C ATOM 951 CE1 TYR A 65 5.463 9.208 4.778 1.00 1.98 C ATOM 952 CE2 TYR A 65 4.931 6.919 5.443 1.00 1.92 C ATOM 953 CZ TYR A 65 5.537 8.166 5.727 1.00 1.25 C ATOM 954 OH TYR A 65 6.258 8.356 6.869 1.00 1.51 O ATOM 0 H TYR A 65 0.966 8.477 2.912 1.00 0.85 H new ATOM 0 HA TYR A 65 3.152 9.571 1.219 1.00 0.86 H new ATOM 0 HB2 TYR A 65 2.762 6.692 2.081 1.00 0.91 H new ATOM 0 HB3 TYR A 65 4.111 7.365 1.186 1.00 0.91 H new ATOM 0 HD1 TYR A 65 4.758 9.804 2.829 1.00 1.81 H new ATOM 0 HD2 TYR A 65 3.777 5.784 4.013 1.00 1.89 H new ATOM 0 HE1 TYR A 65 5.925 10.161 4.988 1.00 1.98 H new ATOM 0 HE2 TYR A 65 4.996 6.111 6.156 1.00 1.92 H new ATOM 0 HH TYR A 65 6.562 7.490 7.212 1.00 1.51 H new ATOM 964 N HIS A 66 2.285 8.550 -0.922 1.00 0.78 N ATOM 965 CA HIS A 66 1.590 8.566 -2.222 1.00 0.73 C ATOM 966 C HIS A 66 2.009 7.386 -3.107 1.00 0.69 C ATOM 967 O HIS A 66 2.951 6.670 -2.794 1.00 0.80 O ATOM 968 CB HIS A 66 1.844 9.939 -2.888 1.00 0.81 C ATOM 969 CG HIS A 66 0.729 10.911 -2.602 1.00 0.85 C ATOM 970 ND1 HIS A 66 -0.273 11.258 -3.490 1.00 2.15 N ATOM 971 CD2 HIS A 66 0.351 11.343 -1.360 1.00 1.49 C ATOM 972 CE1 HIS A 66 -1.250 11.863 -2.793 1.00 2.07 C ATOM 973 NE2 HIS A 66 -0.893 11.928 -1.499 1.00 1.28 N ATOM 0 H HIS A 66 3.298 8.636 -1.009 1.00 0.78 H new ATOM 0 HA HIS A 66 0.518 8.440 -2.074 1.00 0.73 H new ATOM 0 HB2 HIS A 66 2.787 10.350 -2.527 1.00 0.81 H new ATOM 0 HB3 HIS A 66 1.945 9.808 -3.965 1.00 0.81 H new ATOM 0 HD2 HIS A 66 0.917 11.245 -0.445 1.00 1.49 H new ATOM 0 HE1 HIS A 66 -2.175 12.237 -3.207 1.00 2.07 H new ATOM 0 HE2 HIS A 66 -1.446 12.339 -0.747 1.00 1.28 H new ATOM 982 N ALA A 67 1.344 7.176 -4.245 1.00 0.74 N ATOM 983 CA ALA A 67 1.678 6.099 -5.182 1.00 0.77 C ATOM 984 C ALA A 67 2.584 6.595 -6.337 1.00 0.86 C ATOM 985 O ALA A 67 2.119 7.246 -7.275 1.00 1.22 O ATOM 986 CB ALA A 67 0.346 5.540 -5.701 1.00 0.88 C ATOM 0 H ALA A 67 0.556 7.750 -4.545 1.00 0.74 H new ATOM 0 HA ALA A 67 2.254 5.321 -4.681 1.00 0.77 H new ATOM 0 HB1 ALA A 67 0.541 4.731 -6.406 1.00 0.88 H new ATOM 0 HB2 ALA A 67 -0.239 5.159 -4.864 1.00 0.88 H new ATOM 0 HB3 ALA A 67 -0.210 6.332 -6.202 1.00 0.88 H new ATOM 992 N ARG A 68 3.869 6.228 -6.329 1.00 0.79 N ATOM 993 CA ARG A 68 4.796 6.452 -7.449 1.00 0.92 C ATOM 994 C ARG A 68 4.595 5.368 -8.490 1.00 0.63 C ATOM 995 O ARG A 68 5.170 4.277 -8.473 1.00 0.84 O ATOM 996 CB ARG A 68 6.237 6.479 -6.967 1.00 1.29 C ATOM 997 CG ARG A 68 7.365 6.408 -8.008 1.00 1.69 C ATOM 998 CD ARG A 68 7.348 7.431 -9.160 1.00 2.46 C ATOM 999 NE ARG A 68 6.867 8.774 -8.792 1.00 2.60 N ATOM 1000 CZ ARG A 68 6.678 9.813 -9.596 1.00 4.11 C ATOM 1001 NH1 ARG A 68 6.898 9.729 -10.892 1.00 5.43 N ATOM 1002 NH2 ARG A 68 6.246 10.954 -9.107 1.00 5.14 N ATOM 0 H ARG A 68 4.304 5.760 -5.534 1.00 0.79 H new ATOM 0 HA ARG A 68 4.584 7.423 -7.897 1.00 0.92 H new ATOM 0 HB2 ARG A 68 6.376 7.394 -6.391 1.00 1.29 H new ATOM 0 HB3 ARG A 68 6.371 5.645 -6.278 1.00 1.29 H new ATOM 0 HG2 ARG A 68 8.313 6.513 -7.481 1.00 1.69 H new ATOM 0 HG3 ARG A 68 7.353 5.410 -8.447 1.00 1.69 H new ATOM 0 HD2 ARG A 68 8.357 7.520 -9.562 1.00 2.46 H new ATOM 0 HD3 ARG A 68 6.719 7.043 -9.961 1.00 2.46 H new ATOM 0 HE ARG A 68 6.655 8.923 -7.805 1.00 2.60 H new ATOM 0 HH11 ARG A 68 7.221 8.851 -11.299 1.00 5.43 H new ATOM 0 HH12 ARG A 68 6.745 10.542 -11.489 1.00 5.43 H new ATOM 0 HH21 ARG A 68 6.056 11.042 -8.109 1.00 5.14 H new ATOM 0 HH22 ARG A 68 6.101 11.752 -9.726 1.00 5.14 H new ATOM 1016 N VAL A 69 3.746 5.727 -9.420 1.00 0.77 N ATOM 1017 CA VAL A 69 3.427 4.901 -10.588 1.00 1.09 C ATOM 1018 C VAL A 69 4.558 5.018 -11.600 1.00 1.52 C ATOM 1019 O VAL A 69 4.791 6.075 -12.184 1.00 2.10 O ATOM 1020 CB VAL A 69 2.060 5.230 -11.219 1.00 1.78 C ATOM 1021 CG1 VAL A 69 1.773 4.303 -12.415 1.00 1.44 C ATOM 1022 CG2 VAL A 69 0.933 5.060 -10.186 1.00 3.46 C ATOM 0 H VAL A 69 3.242 6.613 -9.399 1.00 0.77 H new ATOM 0 HA VAL A 69 3.338 3.868 -10.252 1.00 1.09 H new ATOM 0 HB VAL A 69 2.096 6.265 -11.559 1.00 1.78 H new ATOM 0 HG11 VAL A 69 0.803 4.553 -12.845 1.00 1.44 H new ATOM 0 HG12 VAL A 69 2.549 4.432 -13.170 1.00 1.44 H new ATOM 0 HG13 VAL A 69 1.764 3.266 -12.078 1.00 1.44 H new ATOM 0 HG21 VAL A 69 -0.025 5.297 -10.650 1.00 3.46 H new ATOM 0 HG22 VAL A 69 0.919 4.030 -9.829 1.00 3.46 H new ATOM 0 HG23 VAL A 69 1.105 5.733 -9.346 1.00 3.46 H new ATOM 1032 N LEU A 70 5.271 3.904 -11.766 1.00 1.42 N ATOM 1033 CA LEU A 70 6.433 3.794 -12.639 1.00 1.92 C ATOM 1034 C LEU A 70 6.264 2.637 -13.625 1.00 1.66 C ATOM 1035 O LEU A 70 5.695 1.603 -13.266 1.00 1.77 O ATOM 1036 CB LEU A 70 7.681 3.661 -11.744 1.00 2.28 C ATOM 1037 CG LEU A 70 7.860 2.298 -11.029 1.00 2.05 C ATOM 1038 CD1 LEU A 70 8.743 1.331 -11.835 1.00 2.12 C ATOM 1039 CD2 LEU A 70 8.485 2.495 -9.643 1.00 2.93 C ATOM 0 H LEU A 70 5.049 3.033 -11.284 1.00 1.42 H new ATOM 0 HA LEU A 70 6.547 4.683 -13.259 1.00 1.92 H new ATOM 0 HB2 LEU A 70 8.564 3.847 -12.355 1.00 2.28 H new ATOM 0 HB3 LEU A 70 7.646 4.445 -10.987 1.00 2.28 H new ATOM 0 HG LEU A 70 6.865 1.863 -10.935 1.00 2.05 H new ATOM 0 HD11 LEU A 70 8.840 0.390 -11.294 1.00 2.12 H new ATOM 0 HD12 LEU A 70 8.286 1.146 -12.807 1.00 2.12 H new ATOM 0 HD13 LEU A 70 9.730 1.771 -11.976 1.00 2.12 H new ATOM 0 HD21 LEU A 70 8.603 1.527 -9.156 1.00 2.93 H new ATOM 0 HD22 LEU A 70 9.461 2.970 -9.748 1.00 2.93 H new ATOM 0 HD23 LEU A 70 7.836 3.129 -9.038 1.00 2.93 H new ATOM 1051 N LYS A 71 6.779 2.797 -14.848 1.00 2.22 N ATOM 1052 CA LYS A 71 7.019 1.734 -15.833 1.00 2.28 C ATOM 1053 C LYS A 71 8.228 2.119 -16.709 1.00 2.52 C ATOM 1054 O LYS A 71 8.305 3.235 -17.213 1.00 3.44 O ATOM 1055 CB LYS A 71 5.774 1.447 -16.709 1.00 3.55 C ATOM 1056 CG LYS A 71 4.736 0.502 -16.069 1.00 4.58 C ATOM 1057 CD LYS A 71 3.532 1.228 -15.439 1.00 5.61 C ATOM 1058 CE LYS A 71 2.726 0.341 -14.471 1.00 6.89 C ATOM 1059 NZ LYS A 71 3.533 -0.104 -13.301 1.00 8.00 N ATOM 0 H LYS A 71 7.054 3.715 -15.196 1.00 2.22 H new ATOM 0 HA LYS A 71 7.233 0.813 -15.292 1.00 2.28 H new ATOM 0 HB2 LYS A 71 5.287 2.393 -16.944 1.00 3.55 H new ATOM 0 HB3 LYS A 71 6.104 1.015 -17.654 1.00 3.55 H new ATOM 0 HG2 LYS A 71 4.373 -0.190 -16.829 1.00 4.58 H new ATOM 0 HG3 LYS A 71 5.228 -0.096 -15.302 1.00 4.58 H new ATOM 0 HD2 LYS A 71 3.887 2.109 -14.904 1.00 5.61 H new ATOM 0 HD3 LYS A 71 2.873 1.581 -16.232 1.00 5.61 H new ATOM 0 HE2 LYS A 71 1.854 0.892 -14.119 1.00 6.89 H new ATOM 0 HE3 LYS A 71 2.356 -0.533 -15.007 1.00 6.89 H new ATOM 0 HZ1 LYS A 71 3.008 0.088 -12.424 1.00 8.00 H new ATOM 0 HZ2 LYS A 71 3.720 -1.124 -13.376 1.00 8.00 H new ATOM 0 HZ3 LYS A 71 4.435 0.413 -13.285 1.00 8.00 H new ATOM 1073 N GLN A 72 9.164 1.182 -16.877 1.00 2.53 N ATOM 1074 CA GLN A 72 10.467 1.388 -17.524 1.00 3.31 C ATOM 1075 C GLN A 72 11.065 0.014 -17.889 1.00 3.87 C ATOM 1076 O GLN A 72 12.207 -0.293 -17.567 1.00 4.82 O ATOM 1077 CB GLN A 72 11.361 2.229 -16.585 1.00 4.06 C ATOM 1078 CG GLN A 72 12.610 2.820 -17.264 1.00 5.05 C ATOM 1079 CD GLN A 72 13.437 3.686 -16.309 1.00 6.21 C ATOM 1080 OE1 GLN A 72 12.966 4.185 -15.302 1.00 6.65 O ATOM 1081 NE2 GLN A 72 14.703 3.916 -16.589 1.00 7.42 N ATOM 0 H GLN A 72 9.033 0.223 -16.555 1.00 2.53 H new ATOM 0 HA GLN A 72 10.376 1.947 -18.455 1.00 3.31 H new ATOM 0 HB2 GLN A 72 10.767 3.043 -16.170 1.00 4.06 H new ATOM 0 HB3 GLN A 72 11.677 1.606 -15.748 1.00 4.06 H new ATOM 0 HG2 GLN A 72 13.231 2.010 -17.646 1.00 5.05 H new ATOM 0 HG3 GLN A 72 12.305 3.419 -18.122 1.00 5.05 H new ATOM 0 HE21 GLN A 72 15.122 3.510 -17.426 1.00 7.42 H new ATOM 0 HE22 GLN A 72 15.265 4.500 -15.969 1.00 7.42 H new ATOM 1090 N GLN A 73 10.250 -0.865 -18.481 1.00 4.22 N ATOM 1091 CA GLN A 73 10.535 -2.287 -18.673 1.00 5.22 C ATOM 1092 C GLN A 73 9.523 -2.856 -19.682 1.00 5.62 C ATOM 1093 O GLN A 73 8.409 -2.339 -19.763 1.00 5.64 O ATOM 1094 CB GLN A 73 10.470 -3.003 -17.302 1.00 6.51 C ATOM 1095 CG GLN A 73 10.772 -4.510 -17.325 1.00 7.46 C ATOM 1096 CD GLN A 73 12.111 -4.820 -17.986 1.00 8.30 C ATOM 1097 OE1 GLN A 73 12.232 -4.779 -19.200 1.00 8.25 O ATOM 1098 NE2 GLN A 73 13.163 -5.088 -17.245 1.00 9.58 N ATOM 0 H GLN A 73 9.340 -0.593 -18.853 1.00 4.22 H new ATOM 0 HA GLN A 73 11.535 -2.443 -19.077 1.00 5.22 H new ATOM 0 HB2 GLN A 73 11.175 -2.520 -16.626 1.00 6.51 H new ATOM 0 HB3 GLN A 73 9.475 -2.856 -16.882 1.00 6.51 H new ATOM 0 HG2 GLN A 73 10.775 -4.894 -16.305 1.00 7.46 H new ATOM 0 HG3 GLN A 73 9.976 -5.030 -17.859 1.00 7.46 H new ATOM 0 HE21 GLN A 73 13.075 -5.125 -16.229 1.00 9.58 H new ATOM 0 HE22 GLN A 73 14.067 -5.259 -17.686 1.00 9.58 H new TER 1107 GLN A 73