USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 147:sc= 0.127 (180deg=0.0138) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0716 USER MOD Single : A 5 ASN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.775 K(o=-0.78,f=-4.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=-0.53) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 29 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.4!) USER MOD Single : A 30 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.053) USER MOD Single : A 31 HIS : no HE2:sc= -8.31! C(o=-8.3!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 127:sc= 0.0179 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : B 8 GLN : amide:sc= -0.636 K(o=-0.64,f=-0.13) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HE2:sc= -0.049 K(o=-0.049,f=-1) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.369 USER MOD Single : B 29 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.64) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS : no HE2:sc= -6.81! C(o=-6.8!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 7.624 25.871 -5.793 1.00 4.71 N ATOM 2 CA CYS A 1 8.360 24.676 -5.305 1.00 4.20 C ATOM 3 C CYS A 1 8.905 24.901 -3.898 1.00 3.72 C ATOM 4 O CYS A 1 9.164 26.035 -3.496 1.00 4.32 O ATOM 5 CB CYS A 1 9.507 24.380 -6.273 1.00 4.04 C ATOM 6 SG CYS A 1 8.969 23.921 -7.937 1.00 4.94 S ATOM 0 H1 CYS A 1 7.747 25.958 -6.822 1.00 4.71 H new ATOM 0 H2 CYS A 1 6.613 25.770 -5.573 1.00 4.71 H new ATOM 0 H3 CYS A 1 7.996 26.723 -5.326 1.00 4.71 H new ATOM 0 HA CYS A 1 7.676 23.828 -5.262 1.00 4.20 H new ATOM 0 HB2 CYS A 1 10.148 25.259 -6.340 1.00 4.04 H new ATOM 0 HB3 CYS A 1 10.115 23.573 -5.864 1.00 4.04 H new ATOM 0 HG CYS A 1 10.010 23.692 -8.682 1.00 4.94 H new ATOM 12 N GLY A 2 9.077 23.813 -3.154 1.00 3.04 N ATOM 13 CA GLY A 2 9.590 23.913 -1.801 1.00 2.89 C ATOM 14 C GLY A 2 8.492 24.132 -0.779 1.00 2.25 C ATOM 15 O GLY A 2 7.333 24.341 -1.139 1.00 2.72 O ATOM 0 H GLY A 2 8.870 22.864 -3.465 1.00 3.04 H new ATOM 0 HA2 GLY A 2 10.135 23.002 -1.554 1.00 2.89 H new ATOM 0 HA3 GLY A 2 10.303 24.736 -1.746 1.00 2.89 H new ATOM 19 N GLY A 3 8.857 24.087 0.497 1.00 1.84 N ATOM 20 CA GLY A 3 7.882 24.285 1.554 1.00 1.56 C ATOM 21 C GLY A 3 7.143 23.009 1.907 1.00 1.41 C ATOM 22 O GLY A 3 5.944 23.036 2.185 1.00 1.64 O ATOM 0 H GLY A 3 9.810 23.917 0.819 1.00 1.84 H new ATOM 0 HA2 GLY A 3 8.386 24.667 2.442 1.00 1.56 H new ATOM 0 HA3 GLY A 3 7.163 25.044 1.244 1.00 1.56 H new ATOM 26 N ASP A 4 7.860 21.890 1.896 1.00 1.16 N ATOM 27 CA ASP A 4 7.267 20.595 2.218 1.00 1.32 C ATOM 28 C ASP A 4 6.177 20.217 1.220 1.00 1.31 C ATOM 29 O ASP A 4 5.362 19.333 1.483 1.00 1.72 O ATOM 30 CB ASP A 4 6.678 20.618 3.624 1.00 1.55 C ATOM 31 CG ASP A 4 7.715 20.933 4.683 1.00 2.07 C ATOM 32 OD1 ASP A 4 8.766 21.508 4.333 1.00 2.50 O ATOM 33 OD2 ASP A 4 7.476 20.603 5.864 1.00 2.71 O ATOM 0 H ASP A 4 8.853 21.853 1.668 1.00 1.16 H new ATOM 0 HA ASP A 4 8.060 19.849 2.164 1.00 1.32 H new ATOM 0 HB2 ASP A 4 5.881 21.360 3.668 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.225 19.651 3.840 1.00 1.55 H new ATOM 38 N ASN A 5 6.170 20.884 0.073 1.00 1.09 N ATOM 39 CA ASN A 5 5.184 20.610 -0.966 1.00 1.25 C ATOM 40 C ASN A 5 5.200 19.130 -1.325 1.00 1.13 C ATOM 41 O ASN A 5 4.186 18.563 -1.736 1.00 1.48 O ATOM 42 CB ASN A 5 5.467 21.455 -2.210 1.00 1.53 C ATOM 43 CG ASN A 5 4.201 22.004 -2.837 1.00 2.03 C ATOM 44 OD1 ASN A 5 4.089 23.203 -3.090 1.00 2.64 O ATOM 45 ND2 ASN A 5 3.237 21.126 -3.090 1.00 2.27 N ATOM 0 H ASN A 5 6.837 21.619 -0.162 1.00 1.09 H new ATOM 0 HA ASN A 5 4.197 20.872 -0.585 1.00 1.25 H new ATOM 0 HB2 ASN A 5 6.124 22.282 -1.942 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.999 20.850 -2.944 1.00 1.53 H new ATOM 0 HD21 ASN A 5 2.361 21.437 -3.510 1.00 2.27 H new ATOM 0 HD22 ASN A 5 3.372 20.141 -2.864 1.00 2.27 H new ATOM 52 N ILE A 6 6.361 18.513 -1.151 1.00 0.80 N ATOM 53 CA ILE A 6 6.533 17.099 -1.435 1.00 0.71 C ATOM 54 C ILE A 6 5.962 16.258 -0.301 1.00 0.63 C ATOM 55 O ILE A 6 5.241 15.287 -0.530 1.00 0.60 O ATOM 56 CB ILE A 6 8.020 16.750 -1.619 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.701 17.769 -2.538 1.00 1.10 C ATOM 58 CG2 ILE A 6 8.169 15.345 -2.172 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.803 18.554 -1.857 1.00 1.80 C ATOM 0 H ILE A 6 7.204 18.977 -0.811 1.00 0.80 H new ATOM 0 HA ILE A 6 6.000 16.880 -2.360 1.00 0.71 H new ATOM 0 HB ILE A 6 8.508 16.789 -0.645 1.00 0.75 H new ATOM 0 HG12 ILE A 6 9.116 17.248 -3.401 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.951 18.464 -2.916 1.00 1.10 H new ATOM 0 HG21 ILE A 6 9.227 15.113 -2.296 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.720 14.632 -1.480 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.667 15.279 -3.137 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.241 19.256 -2.566 1.00 1.80 H new ATOM 0 HD12 ILE A 6 9.389 19.103 -1.011 1.00 1.80 H new ATOM 0 HD13 ILE A 6 10.573 17.868 -1.503 1.00 1.80 H new ATOM 71 N GLU A 7 6.290 16.649 0.925 1.00 0.66 N ATOM 72 CA GLU A 7 5.814 15.949 2.113 1.00 0.63 C ATOM 73 C GLU A 7 4.290 15.862 2.120 1.00 0.59 C ATOM 74 O GLU A 7 3.713 14.967 2.736 1.00 0.56 O ATOM 75 CB GLU A 7 6.302 16.658 3.378 1.00 0.76 C ATOM 76 CG GLU A 7 6.418 15.740 4.584 1.00 0.78 C ATOM 77 CD GLU A 7 6.049 16.432 5.880 1.00 1.41 C ATOM 78 OE1 GLU A 7 6.511 17.572 6.098 1.00 2.15 O ATOM 79 OE2 GLU A 7 5.297 15.835 6.680 1.00 1.96 O ATOM 0 H GLU A 7 6.887 17.452 1.123 1.00 0.66 H new ATOM 0 HA GLU A 7 6.217 14.937 2.094 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.275 17.108 3.180 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.617 17.472 3.616 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.770 14.875 4.441 1.00 0.78 H new ATOM 0 HG3 GLU A 7 7.439 15.366 4.654 1.00 0.78 H new ATOM 86 N GLN A 8 3.645 16.795 1.429 1.00 0.64 N ATOM 87 CA GLN A 8 2.191 16.816 1.352 1.00 0.64 C ATOM 88 C GLN A 8 1.697 15.779 0.352 1.00 0.58 C ATOM 89 O GLN A 8 0.719 15.072 0.602 1.00 0.60 O ATOM 90 CB GLN A 8 1.702 18.209 0.947 1.00 0.74 C ATOM 91 CG GLN A 8 0.353 18.576 1.544 1.00 1.08 C ATOM 92 CD GLN A 8 0.437 18.899 3.023 1.00 1.55 C ATOM 93 OE1 GLN A 8 1.034 18.152 3.799 1.00 2.21 O ATOM 94 NE2 GLN A 8 -0.161 20.015 3.420 1.00 2.21 N ATOM 0 H GLN A 8 4.106 17.546 0.915 1.00 0.64 H new ATOM 0 HA GLN A 8 1.789 16.573 2.336 1.00 0.64 H new ATOM 0 HB2 GLN A 8 2.440 18.949 1.256 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.635 18.260 -0.140 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.054 19.435 1.011 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.342 17.750 1.395 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -0.644 20.604 2.742 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -0.137 20.284 4.404 1.00 2.21 H new ATOM 103 N LYS A 9 2.387 15.691 -0.779 1.00 0.56 N ATOM 104 CA LYS A 9 2.029 14.738 -1.821 1.00 0.54 C ATOM 105 C LYS A 9 2.124 13.308 -1.305 1.00 0.47 C ATOM 106 O LYS A 9 1.311 12.454 -1.659 1.00 0.52 O ATOM 107 CB LYS A 9 2.937 14.917 -3.039 1.00 0.59 C ATOM 108 CG LYS A 9 2.221 14.722 -4.366 1.00 0.86 C ATOM 109 CD LYS A 9 3.129 15.047 -5.541 1.00 1.16 C ATOM 110 CE LYS A 9 3.864 13.811 -6.037 1.00 1.65 C ATOM 111 NZ LYS A 9 3.212 13.222 -7.239 1.00 2.42 N ATOM 0 H LYS A 9 3.198 16.269 -0.997 1.00 0.56 H new ATOM 0 HA LYS A 9 0.997 14.930 -2.116 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.372 15.916 -3.014 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.763 14.208 -2.974 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.875 13.691 -4.446 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.337 15.359 -4.401 1.00 0.86 H new ATOM 0 HD2 LYS A 9 2.537 15.470 -6.353 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.852 15.807 -5.244 1.00 1.16 H new ATOM 0 HE2 LYS A 9 4.895 14.073 -6.275 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.900 13.066 -5.242 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 3.743 12.382 -7.546 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 2.236 12.948 -7.006 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 3.201 13.924 -8.007 1.00 2.42 H new ATOM 125 N ILE A 10 3.121 13.050 -0.464 1.00 0.42 N ATOM 126 CA ILE A 10 3.312 11.718 0.095 1.00 0.38 C ATOM 127 C ILE A 10 2.221 11.383 1.101 1.00 0.38 C ATOM 128 O ILE A 10 1.686 10.278 1.096 1.00 0.38 O ATOM 129 CB ILE A 10 4.680 11.560 0.779 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.952 12.711 1.749 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.786 11.462 -0.259 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.164 12.483 2.626 1.00 0.95 C ATOM 0 H ILE A 10 3.805 13.742 -0.157 1.00 0.42 H new ATOM 0 HA ILE A 10 3.264 11.028 -0.748 1.00 0.38 H new ATOM 0 HB ILE A 10 4.662 10.635 1.356 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.092 13.630 1.180 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.077 12.858 2.382 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.747 11.351 0.243 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.609 10.598 -0.899 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.796 12.367 -0.866 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.299 13.337 3.289 1.00 0.95 H new ATOM 0 HD12 ILE A 10 6.018 11.581 3.221 1.00 0.95 H new ATOM 0 HD13 ILE A 10 7.049 12.366 2.000 1.00 0.95 H new ATOM 144 N ASP A 11 1.887 12.342 1.962 1.00 0.41 N ATOM 145 CA ASP A 11 0.848 12.130 2.965 1.00 0.46 C ATOM 146 C ASP A 11 -0.404 11.571 2.305 1.00 0.46 C ATOM 147 O ASP A 11 -1.117 10.742 2.878 1.00 0.50 O ATOM 148 CB ASP A 11 0.523 13.442 3.683 1.00 0.54 C ATOM 149 CG ASP A 11 -0.257 13.221 4.964 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.044 12.179 5.617 1.00 1.48 O ATOM 151 OD2 ASP A 11 -1.081 14.093 5.314 1.00 1.32 O ATOM 0 H ASP A 11 2.317 13.266 1.985 1.00 0.41 H new ATOM 0 HA ASP A 11 1.213 11.413 3.701 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.450 13.968 3.911 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.052 14.085 3.017 1.00 0.54 H new ATOM 156 N ASP A 12 -0.647 12.014 1.078 1.00 0.46 N ATOM 157 CA ASP A 12 -1.795 11.549 0.316 1.00 0.51 C ATOM 158 C ASP A 12 -1.619 10.074 -0.010 1.00 0.48 C ATOM 159 O ASP A 12 -2.522 9.261 0.195 1.00 0.52 O ATOM 160 CB ASP A 12 -1.950 12.360 -0.972 1.00 0.56 C ATOM 161 CG ASP A 12 -3.292 12.134 -1.640 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.290 12.730 -1.182 1.00 1.28 O ATOM 163 OD2 ASP A 12 -3.345 11.362 -2.620 1.00 1.41 O ATOM 0 H ASP A 12 -0.064 12.694 0.591 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.697 11.684 0.913 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.833 13.420 -0.747 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.153 12.092 -1.665 1.00 0.56 H new ATOM 168 N ILE A 13 -0.433 9.737 -0.499 1.00 0.43 N ATOM 169 CA ILE A 13 -0.113 8.362 -0.836 1.00 0.44 C ATOM 170 C ILE A 13 -0.213 7.479 0.401 1.00 0.44 C ATOM 171 O ILE A 13 -0.818 6.414 0.362 1.00 0.47 O ATOM 172 CB ILE A 13 1.304 8.244 -1.431 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.482 9.238 -2.580 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.567 6.820 -1.902 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.808 9.109 -3.296 1.00 0.47 C ATOM 0 H ILE A 13 0.323 10.400 -0.670 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.833 8.031 -1.585 1.00 0.44 H new ATOM 0 HB ILE A 13 2.030 8.484 -0.654 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.675 9.096 -3.299 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.387 10.251 -2.190 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.572 6.755 -2.319 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.479 6.136 -1.058 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.838 6.549 -2.666 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.862 9.846 -4.098 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.621 9.281 -2.590 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.898 8.108 -3.717 1.00 0.47 H new ATOM 187 N ASP A 14 0.376 7.939 1.504 1.00 0.43 N ATOM 188 CA ASP A 14 0.347 7.196 2.761 1.00 0.47 C ATOM 189 C ASP A 14 -1.066 6.727 3.088 1.00 0.51 C ATOM 190 O ASP A 14 -1.257 5.666 3.684 1.00 0.55 O ATOM 191 CB ASP A 14 0.883 8.063 3.902 1.00 0.49 C ATOM 192 CG ASP A 14 1.701 7.268 4.899 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.250 6.215 4.511 1.00 1.26 O ATOM 194 OD2 ASP A 14 1.795 7.697 6.068 1.00 1.29 O ATOM 0 H ASP A 14 0.880 8.825 1.551 1.00 0.43 H new ATOM 0 HA ASP A 14 0.983 6.318 2.647 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.497 8.863 3.489 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.048 8.537 4.418 1.00 0.49 H new ATOM 199 N HIS A 15 -2.053 7.518 2.685 1.00 0.51 N ATOM 200 CA HIS A 15 -3.446 7.176 2.928 1.00 0.56 C ATOM 201 C HIS A 15 -3.902 6.088 1.965 1.00 0.57 C ATOM 202 O HIS A 15 -4.781 5.285 2.283 1.00 0.62 O ATOM 203 CB HIS A 15 -4.331 8.414 2.770 1.00 0.59 C ATOM 204 CG HIS A 15 -5.603 8.346 3.556 1.00 0.73 C ATOM 205 ND1 HIS A 15 -6.039 7.198 4.184 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.536 9.293 3.816 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.186 7.442 4.795 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.508 8.705 4.587 1.00 1.11 N ATOM 0 H HIS A 15 -1.913 8.399 2.190 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.536 6.803 3.948 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.768 9.294 3.081 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.572 8.546 1.715 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.519 10.319 3.480 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.761 6.729 5.367 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.344 9.169 4.942 1.00 1.11 H new ATOM 217 N GLU A 16 -3.294 6.066 0.784 1.00 0.54 N ATOM 218 CA GLU A 16 -3.634 5.078 -0.230 1.00 0.57 C ATOM 219 C GLU A 16 -2.873 3.776 -0.004 1.00 0.57 C ATOM 220 O GLU A 16 -3.386 2.691 -0.271 1.00 0.63 O ATOM 221 CB GLU A 16 -3.329 5.626 -1.625 1.00 0.56 C ATOM 222 CG GLU A 16 -3.754 7.072 -1.815 1.00 0.57 C ATOM 223 CD GLU A 16 -3.140 7.704 -3.049 1.00 1.30 C ATOM 224 OE1 GLU A 16 -2.116 7.181 -3.536 1.00 1.99 O ATOM 225 OE2 GLU A 16 -3.683 8.722 -3.528 1.00 2.07 O ATOM 0 H GLU A 16 -2.563 6.722 0.506 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.701 4.868 -0.153 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.259 5.543 -1.813 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.832 5.007 -2.368 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.840 7.121 -1.889 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.468 7.649 -0.936 1.00 0.57 H new ATOM 232 N ILE A 17 -1.647 3.895 0.491 1.00 0.54 N ATOM 233 CA ILE A 17 -0.807 2.735 0.756 1.00 0.57 C ATOM 234 C ILE A 17 -1.415 1.865 1.851 1.00 0.59 C ATOM 235 O ILE A 17 -1.296 0.639 1.829 1.00 0.62 O ATOM 236 CB ILE A 17 0.611 3.157 1.188 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.181 4.188 0.213 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.526 1.945 1.274 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.194 5.119 0.841 1.00 0.94 C ATOM 0 H ILE A 17 -1.211 4.789 0.718 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.744 2.167 -0.172 1.00 0.57 H new ATOM 0 HB ILE A 17 0.549 3.612 2.177 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.648 3.666 -0.622 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.362 4.779 -0.198 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.523 2.263 1.580 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.129 1.241 2.005 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.583 1.462 0.298 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.555 5.823 0.091 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.726 5.668 1.658 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.032 4.538 1.227 1.00 0.94 H new ATOM 251 N ALA A 18 -2.062 2.515 2.812 1.00 0.58 N ATOM 252 CA ALA A 18 -2.690 1.817 3.927 1.00 0.61 C ATOM 253 C ALA A 18 -4.024 1.202 3.518 1.00 0.62 C ATOM 254 O ALA A 18 -4.373 0.107 3.958 1.00 0.66 O ATOM 255 CB ALA A 18 -2.882 2.769 5.099 1.00 0.65 C ATOM 0 H ALA A 18 -2.165 3.529 2.841 1.00 0.58 H new ATOM 0 HA ALA A 18 -2.030 1.005 4.232 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.352 2.237 5.926 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.913 3.153 5.418 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.519 3.599 4.793 1.00 0.65 H new ATOM 261 N ASP A 19 -4.769 1.911 2.675 1.00 0.61 N ATOM 262 CA ASP A 19 -6.066 1.429 2.210 1.00 0.64 C ATOM 263 C ASP A 19 -5.942 0.030 1.611 1.00 0.61 C ATOM 264 O ASP A 19 -6.749 -0.855 1.899 1.00 0.66 O ATOM 265 CB ASP A 19 -6.649 2.390 1.174 1.00 0.66 C ATOM 266 CG ASP A 19 -8.152 2.540 1.306 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.650 2.543 2.452 1.00 1.64 O ATOM 268 OD2 ASP A 19 -8.832 2.652 0.265 1.00 1.79 O ATOM 0 H ASP A 19 -4.498 2.820 2.300 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.737 1.380 3.067 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -6.178 3.367 1.283 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.409 2.031 0.173 1.00 0.66 H new ATOM 273 N LEU A 20 -4.925 -0.161 0.779 1.00 0.56 N ATOM 274 CA LEU A 20 -4.694 -1.450 0.141 1.00 0.54 C ATOM 275 C LEU A 20 -4.309 -2.507 1.169 1.00 0.52 C ATOM 276 O LEU A 20 -4.886 -3.593 1.205 1.00 0.50 O ATOM 277 CB LEU A 20 -3.601 -1.334 -0.922 1.00 0.58 C ATOM 278 CG LEU A 20 -3.689 -0.098 -1.821 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.805 -0.274 -3.045 1.00 0.63 C ATOM 280 CD2 LEU A 20 -5.127 0.172 -2.239 1.00 0.62 C ATOM 0 H LEU A 20 -4.248 0.560 0.531 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.623 -1.757 -0.339 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.632 -1.332 -0.424 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.634 -2.223 -1.551 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.336 0.762 -1.253 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.877 0.612 -3.676 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.771 -0.412 -2.730 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -3.133 -1.148 -3.608 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.161 1.055 -2.877 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.514 -0.687 -2.788 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.738 0.341 -1.352 1.00 0.62 H new ATOM 292 N GLN A 21 -3.324 -2.183 2.004 1.00 0.54 N ATOM 293 CA GLN A 21 -2.854 -3.106 3.032 1.00 0.55 C ATOM 294 C GLN A 21 -4.019 -3.667 3.844 1.00 0.53 C ATOM 295 O GLN A 21 -4.005 -4.832 4.243 1.00 0.53 O ATOM 296 CB GLN A 21 -1.862 -2.404 3.962 1.00 0.60 C ATOM 297 CG GLN A 21 -0.730 -3.303 4.434 1.00 0.87 C ATOM 298 CD GLN A 21 0.260 -2.575 5.321 1.00 1.25 C ATOM 299 OE1 GLN A 21 1.441 -2.462 4.991 1.00 1.99 O ATOM 300 NE2 GLN A 21 -0.217 -2.075 6.455 1.00 1.74 N ATOM 0 H GLN A 21 -2.836 -1.287 1.988 1.00 0.54 H new ATOM 0 HA GLN A 21 -2.353 -3.936 2.533 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.439 -1.542 3.445 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.399 -2.023 4.831 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -1.147 -4.150 4.979 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.207 -3.708 3.568 1.00 0.87 H new ATOM 0 HE21 GLN A 21 -1.203 -2.192 6.689 1.00 1.74 H new ATOM 0 HE22 GLN A 21 0.402 -1.574 7.092 1.00 1.74 H new ATOM 309 N ALA A 22 -5.025 -2.834 4.080 1.00 0.55 N ATOM 310 CA ALA A 22 -6.199 -3.250 4.839 1.00 0.57 C ATOM 311 C ALA A 22 -7.014 -4.277 4.062 1.00 0.55 C ATOM 312 O ALA A 22 -7.576 -5.206 4.639 1.00 0.65 O ATOM 313 CB ALA A 22 -7.059 -2.044 5.188 1.00 0.65 C ATOM 0 H ALA A 22 -5.052 -1.867 3.757 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.858 -3.716 5.764 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.931 -2.371 5.754 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.478 -1.344 5.788 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -7.385 -1.552 4.272 1.00 0.65 H new ATOM 319 N LYS A 23 -7.071 -4.099 2.746 1.00 0.53 N ATOM 320 CA LYS A 23 -7.817 -5.009 1.883 1.00 0.55 C ATOM 321 C LYS A 23 -7.223 -6.414 1.926 1.00 0.50 C ATOM 322 O LYS A 23 -7.946 -7.406 1.838 1.00 0.57 O ATOM 323 CB LYS A 23 -7.822 -4.487 0.445 1.00 0.61 C ATOM 324 CG LYS A 23 -9.143 -3.862 0.029 1.00 0.70 C ATOM 325 CD LYS A 23 -9.266 -2.428 0.521 1.00 0.79 C ATOM 326 CE LYS A 23 -9.474 -1.456 -0.630 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.418 -0.363 -0.271 1.00 1.53 N ATOM 0 H LYS A 23 -6.610 -3.334 2.254 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.842 -5.059 2.249 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -7.029 -3.748 0.333 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.590 -5.309 -0.232 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.229 -3.883 -1.057 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.967 -4.455 0.426 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -10.101 -2.352 1.217 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.366 -2.153 1.072 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.515 -1.027 -0.920 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -9.857 -1.996 -1.496 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.532 0.277 -1.082 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -11.341 -0.770 -0.019 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -10.041 0.169 0.539 1.00 1.53 H new ATOM 341 N ARG A 24 -5.904 -6.491 2.054 1.00 0.46 N ATOM 342 CA ARG A 24 -5.214 -7.777 2.100 1.00 0.50 C ATOM 343 C ARG A 24 -5.477 -8.498 3.420 1.00 0.52 C ATOM 344 O ARG A 24 -5.776 -9.691 3.437 1.00 0.60 O ATOM 345 CB ARG A 24 -3.710 -7.576 1.911 1.00 0.61 C ATOM 346 CG ARG A 24 -3.209 -7.984 0.536 1.00 1.15 C ATOM 347 CD ARG A 24 -1.738 -8.367 0.568 1.00 1.41 C ATOM 348 NE ARG A 24 -1.519 -9.745 0.134 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.533 -10.520 0.584 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.339 -10.058 1.471 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.417 -11.765 0.140 1.00 2.74 N ATOM 0 H ARG A 24 -5.290 -5.680 2.128 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.601 -8.394 1.289 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.468 -6.527 2.080 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -3.177 -8.152 2.668 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.797 -8.825 0.169 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.357 -7.162 -0.164 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.174 -7.691 -0.075 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.353 -8.241 1.580 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.160 -10.138 -0.555 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.258 -9.101 1.815 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.090 -10.660 1.809 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.082 -12.127 -0.544 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.337 -12.361 0.483 1.00 2.74 H new ATOM 365 N THR A 25 -5.354 -7.767 4.524 1.00 0.53 N ATOM 366 CA THR A 25 -5.568 -8.338 5.849 1.00 0.60 C ATOM 367 C THR A 25 -6.988 -8.864 6.002 1.00 0.59 C ATOM 368 O THR A 25 -7.196 -10.030 6.335 1.00 0.67 O ATOM 369 CB THR A 25 -5.294 -7.292 6.926 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.429 -6.281 6.438 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.672 -7.868 8.178 1.00 0.81 C ATOM 0 H THR A 25 -5.107 -6.777 4.527 1.00 0.53 H new ATOM 0 HA THR A 25 -4.876 -9.172 5.966 1.00 0.60 H new ATOM 0 HB THR A 25 -6.271 -6.883 7.183 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.268 -5.620 7.143 1.00 0.77 H new ATOM 0 HG21 THR A 25 -4.504 -7.070 8.901 1.00 0.81 H new ATOM 0 HG22 THR A 25 -5.342 -8.612 8.608 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.720 -8.338 7.929 1.00 0.81 H new ATOM 379 N ARG A 26 -7.965 -7.994 5.761 1.00 0.56 N ATOM 380 CA ARG A 26 -9.368 -8.374 5.878 1.00 0.61 C ATOM 381 C ARG A 26 -9.637 -9.658 5.105 1.00 0.58 C ATOM 382 O ARG A 26 -10.300 -10.572 5.602 1.00 0.65 O ATOM 383 CB ARG A 26 -10.270 -7.248 5.367 1.00 0.64 C ATOM 384 CG ARG A 26 -9.863 -6.712 4.004 1.00 0.59 C ATOM 385 CD ARG A 26 -10.724 -7.296 2.894 1.00 1.02 C ATOM 386 NE ARG A 26 -11.379 -6.255 2.105 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.475 -5.608 2.497 1.00 1.88 C ATOM 388 NH1 ARG A 26 -13.039 -5.890 3.664 1.00 2.38 N ATOM 389 NH2 ARG A 26 -13.007 -4.675 1.719 1.00 2.54 N ATOM 0 H ARG A 26 -7.811 -7.024 5.484 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.592 -8.549 6.930 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -11.296 -7.612 5.313 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -10.259 -6.430 6.088 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -9.949 -5.625 3.999 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -8.816 -6.950 3.817 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.105 -7.911 2.241 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -11.479 -7.952 3.328 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.973 -6.010 1.202 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.633 -6.606 4.267 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.878 -5.391 3.959 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -12.577 -4.453 0.821 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -13.846 -4.179 2.018 1.00 2.54 H new ATOM 403 N LEU A 27 -9.099 -9.730 3.894 1.00 0.51 N ATOM 404 CA LEU A 27 -9.266 -10.912 3.063 1.00 0.51 C ATOM 405 C LEU A 27 -8.638 -12.121 3.746 1.00 0.53 C ATOM 406 O LEU A 27 -9.178 -13.227 3.692 1.00 0.59 O ATOM 407 CB LEU A 27 -8.635 -10.697 1.685 1.00 0.47 C ATOM 408 CG LEU A 27 -9.626 -10.674 0.518 1.00 0.66 C ATOM 409 CD1 LEU A 27 -10.015 -9.245 0.175 1.00 1.31 C ATOM 410 CD2 LEU A 27 -9.035 -11.372 -0.699 1.00 1.35 C ATOM 0 H LEU A 27 -8.546 -8.986 3.468 1.00 0.51 H new ATOM 0 HA LEU A 27 -10.332 -11.093 2.928 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -8.087 -9.755 1.696 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.906 -11.488 1.508 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.524 -11.212 0.821 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.720 -9.249 -0.657 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.480 -8.776 1.042 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -9.125 -8.683 -0.107 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.754 -11.346 -1.518 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -8.120 -10.863 -1.002 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.807 -12.408 -0.449 1.00 1.35 H new ATOM 422 N VAL A 28 -7.503 -11.901 4.408 1.00 0.54 N ATOM 423 CA VAL A 28 -6.819 -12.977 5.112 1.00 0.62 C ATOM 424 C VAL A 28 -7.710 -13.533 6.211 1.00 0.72 C ATOM 425 O VAL A 28 -7.835 -14.747 6.372 1.00 0.79 O ATOM 426 CB VAL A 28 -5.494 -12.502 5.733 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.753 -13.666 6.375 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.624 -11.817 4.686 1.00 0.62 C ATOM 0 H VAL A 28 -7.043 -10.993 4.470 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.598 -13.753 4.380 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.723 -11.775 6.512 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.819 -13.308 6.808 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -5.372 -14.104 7.158 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.537 -14.421 5.619 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.692 -11.489 5.146 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.404 -12.518 3.881 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -5.153 -10.954 4.282 1.00 0.62 H new ATOM 438 N GLN A 29 -8.344 -12.632 6.955 1.00 0.76 N ATOM 439 CA GLN A 29 -9.245 -13.030 8.029 1.00 0.87 C ATOM 440 C GLN A 29 -10.268 -14.025 7.500 1.00 0.87 C ATOM 441 O GLN A 29 -10.708 -14.925 8.215 1.00 0.97 O ATOM 442 CB GLN A 29 -9.954 -11.806 8.614 1.00 0.95 C ATOM 443 CG GLN A 29 -9.145 -11.086 9.680 1.00 1.50 C ATOM 444 CD GLN A 29 -7.824 -10.560 9.154 1.00 1.68 C ATOM 445 OE1 GLN A 29 -7.691 -9.374 8.851 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.838 -11.443 9.041 1.00 2.15 N ATOM 0 H GLN A 29 -8.250 -11.624 6.834 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.663 -13.502 8.820 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -10.180 -11.108 7.808 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.907 -12.118 9.042 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.730 -10.256 10.076 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.956 -11.767 10.509 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -6.992 -12.416 9.304 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.926 -11.148 8.691 1.00 2.15 H new ATOM 455 N GLN A 30 -10.625 -13.861 6.230 1.00 0.83 N ATOM 456 CA GLN A 30 -11.579 -14.749 5.583 1.00 0.93 C ATOM 457 C GLN A 30 -10.954 -16.123 5.356 1.00 0.96 C ATOM 458 O GLN A 30 -11.647 -17.140 5.382 1.00 1.09 O ATOM 459 CB GLN A 30 -12.044 -14.157 4.252 1.00 0.98 C ATOM 460 CG GLN A 30 -12.574 -12.738 4.371 1.00 1.46 C ATOM 461 CD GLN A 30 -13.841 -12.518 3.566 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.933 -11.580 2.775 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.825 -13.386 3.765 1.00 2.29 N ATOM 0 H GLN A 30 -10.266 -13.119 5.629 1.00 0.83 H new ATOM 0 HA GLN A 30 -12.444 -14.860 6.236 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.212 -14.167 3.548 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -12.823 -14.793 3.833 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.771 -12.515 5.420 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -11.808 -12.039 4.035 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.705 -14.149 4.431 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -15.701 -13.290 3.252 1.00 2.29 H new ATOM 472 N HIS A 31 -9.639 -16.147 5.142 1.00 0.87 N ATOM 473 CA HIS A 31 -8.930 -17.405 4.921 1.00 0.98 C ATOM 474 C HIS A 31 -7.605 -17.428 5.684 1.00 1.03 C ATOM 475 O HIS A 31 -6.531 -17.350 5.087 1.00 1.06 O ATOM 476 CB HIS A 31 -8.683 -17.639 3.427 1.00 0.99 C ATOM 477 CG HIS A 31 -7.770 -16.634 2.801 1.00 1.40 C ATOM 478 ND1 HIS A 31 -8.064 -15.293 2.738 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.563 -16.780 2.201 1.00 2.18 C ATOM 480 CE1 HIS A 31 -7.084 -14.658 2.126 1.00 2.19 C ATOM 481 NE2 HIS A 31 -6.157 -15.535 1.792 1.00 2.47 N ATOM 0 H HIS A 31 -9.048 -15.316 5.117 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.560 -18.210 5.298 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -8.261 -18.635 3.290 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.639 -17.623 2.903 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.909 -14.857 3.107 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -6.021 -17.705 2.069 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -7.046 -13.596 1.931 1.00 2.19 H new ATOM 490 N PRO A 32 -7.664 -17.539 7.022 1.00 1.13 N ATOM 491 CA PRO A 32 -6.466 -17.574 7.865 1.00 1.29 C ATOM 492 C PRO A 32 -5.749 -18.919 7.802 1.00 1.57 C ATOM 493 O PRO A 32 -5.596 -19.601 8.815 1.00 2.23 O ATOM 494 CB PRO A 32 -7.022 -17.326 9.268 1.00 1.44 C ATOM 495 CG PRO A 32 -8.408 -17.871 9.222 1.00 1.39 C ATOM 496 CD PRO A 32 -8.903 -17.640 7.818 1.00 1.19 C ATOM 0 HA PRO A 32 -5.720 -16.844 7.550 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -6.423 -17.829 10.027 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -7.021 -16.264 9.513 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -8.417 -18.933 9.468 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -9.048 -17.370 9.948 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -9.533 -18.461 7.476 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -9.499 -16.730 7.748 1.00 1.19 H new ATOM 504 N ARG A 33 -5.311 -19.295 6.604 1.00 1.74 N ATOM 505 CA ARG A 33 -4.611 -20.558 6.408 1.00 2.03 C ATOM 506 C ARG A 33 -3.740 -20.509 5.158 1.00 3.00 C ATOM 507 O ARG A 33 -3.522 -21.528 4.501 1.00 3.75 O ATOM 508 CB ARG A 33 -5.612 -21.711 6.303 1.00 1.88 C ATOM 509 CG ARG A 33 -6.019 -22.287 7.651 1.00 2.44 C ATOM 510 CD ARG A 33 -7.498 -22.066 7.931 1.00 3.16 C ATOM 511 NE ARG A 33 -8.328 -23.115 7.343 1.00 3.92 N ATOM 512 CZ ARG A 33 -8.491 -24.321 7.880 1.00 4.70 C ATOM 513 NH1 ARG A 33 -7.883 -24.636 9.018 1.00 4.92 N ATOM 514 NH2 ARG A 33 -9.265 -25.215 7.280 1.00 5.58 N ATOM 0 H ARG A 33 -5.429 -18.742 5.755 1.00 1.74 H new ATOM 0 HA ARG A 33 -3.967 -20.725 7.271 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -6.503 -21.361 5.782 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -5.178 -22.504 5.694 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -5.800 -23.354 7.672 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -5.426 -21.824 8.439 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -7.663 -22.034 9.008 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -7.802 -21.098 7.534 1.00 3.16 H new ATOM 0 HE ARG A 33 -8.811 -22.910 6.468 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -7.288 -23.952 9.485 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -8.011 -25.562 9.425 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -9.735 -24.978 6.407 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -9.390 -26.140 7.692 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -14.819 -26.681 0.339 1.00 5.15 N ATOM 530 CA CYS B 1 -14.740 -25.363 -0.281 1.00 4.44 C ATOM 531 C CYS B 1 -13.575 -24.562 0.293 1.00 3.68 C ATOM 532 O CYS B 1 -13.285 -24.637 1.487 1.00 4.02 O ATOM 533 CB CYS B 1 -16.049 -24.600 -0.075 1.00 4.47 C ATOM 534 SG CYS B 1 -16.229 -23.145 -1.133 1.00 5.51 S ATOM 0 H1 CYS B 1 -15.779 -26.834 0.708 1.00 5.15 H new ATOM 0 H2 CYS B 1 -14.599 -27.411 -0.368 1.00 5.15 H new ATOM 0 H3 CYS B 1 -14.135 -26.739 1.120 1.00 5.15 H new ATOM 0 HA CYS B 1 -14.573 -25.500 -1.349 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -16.884 -25.276 -0.260 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -16.115 -24.289 0.967 1.00 4.47 H new ATOM 0 HG CYS B 1 -17.368 -22.568 -0.887 1.00 5.51 H new ATOM 540 N GLY B 2 -12.911 -23.795 -0.566 1.00 3.11 N ATOM 541 CA GLY B 2 -11.787 -22.990 -0.127 1.00 2.73 C ATOM 542 C GLY B 2 -10.489 -23.388 -0.804 1.00 2.20 C ATOM 543 O GLY B 2 -9.595 -23.944 -0.167 1.00 2.81 O ATOM 0 H GLY B 2 -13.132 -23.717 -1.559 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -11.994 -21.940 -0.333 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -11.675 -23.087 0.953 1.00 2.73 H new ATOM 547 N GLY B 3 -10.387 -23.102 -2.097 1.00 1.66 N ATOM 548 CA GLY B 3 -9.187 -23.439 -2.838 1.00 1.45 C ATOM 549 C GLY B 3 -8.226 -22.272 -2.951 1.00 1.30 C ATOM 550 O GLY B 3 -7.656 -22.029 -4.015 1.00 1.48 O ATOM 0 H GLY B 3 -11.114 -22.643 -2.645 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -8.684 -24.273 -2.349 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.464 -23.775 -3.837 1.00 1.45 H new ATOM 554 N ASP B 4 -8.047 -21.547 -1.850 1.00 1.06 N ATOM 555 CA ASP B 4 -7.149 -20.396 -1.827 1.00 1.10 C ATOM 556 C ASP B 4 -7.611 -19.310 -2.793 1.00 1.01 C ATOM 557 O ASP B 4 -6.843 -18.417 -3.150 1.00 1.22 O ATOM 558 CB ASP B 4 -5.733 -20.825 -2.190 1.00 1.23 C ATOM 559 CG ASP B 4 -5.176 -21.863 -1.235 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.694 -21.967 -0.104 1.00 2.34 O ATOM 561 OD2 ASP B 4 -4.222 -22.572 -1.620 1.00 2.59 O ATOM 0 H ASP B 4 -8.512 -21.736 -0.962 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.162 -19.988 -0.816 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -5.728 -21.228 -3.203 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.082 -19.951 -2.191 1.00 1.23 H new ATOM 566 N ASN B 5 -8.869 -19.387 -3.206 1.00 0.92 N ATOM 567 CA ASN B 5 -9.435 -18.405 -4.126 1.00 1.02 C ATOM 568 C ASN B 5 -9.236 -16.999 -3.577 1.00 0.99 C ATOM 569 O ASN B 5 -9.098 -16.035 -4.331 1.00 1.39 O ATOM 570 CB ASN B 5 -10.924 -18.677 -4.346 1.00 1.19 C ATOM 571 CG ASN B 5 -11.518 -17.795 -5.428 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.539 -17.138 -5.218 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.880 -17.775 -6.592 1.00 1.86 N ATOM 0 H ASN B 5 -9.519 -20.119 -2.919 1.00 0.92 H new ATOM 0 HA ASN B 5 -8.921 -18.488 -5.083 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.064 -19.724 -4.617 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.462 -18.515 -3.412 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.232 -17.199 -7.357 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.038 -18.335 -6.722 1.00 1.86 H new ATOM 580 N ILE B 6 -9.209 -16.900 -2.254 1.00 0.68 N ATOM 581 CA ILE B 6 -9.013 -15.627 -1.583 1.00 0.63 C ATOM 582 C ILE B 6 -7.533 -15.270 -1.550 1.00 0.56 C ATOM 583 O ILE B 6 -7.148 -14.131 -1.817 1.00 0.53 O ATOM 584 CB ILE B 6 -9.550 -15.672 -0.143 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.962 -16.265 -0.110 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.540 -14.281 0.465 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.119 -17.394 0.885 1.00 1.57 C ATOM 0 H ILE B 6 -9.321 -17.694 -1.623 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.563 -14.870 -2.142 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.899 -16.315 0.449 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.673 -15.476 0.133 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.218 -16.630 -1.105 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.923 -14.327 1.485 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.520 -13.897 0.477 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -10.170 -13.620 -0.130 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.143 -17.766 0.855 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.432 -18.201 0.631 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.895 -17.029 1.887 1.00 1.57 H new ATOM 599 N GLU B 7 -6.709 -16.261 -1.225 1.00 0.60 N ATOM 600 CA GLU B 7 -5.264 -16.072 -1.160 1.00 0.59 C ATOM 601 C GLU B 7 -4.727 -15.533 -2.482 1.00 0.57 C ATOM 602 O GLU B 7 -3.692 -14.870 -2.520 1.00 0.53 O ATOM 603 CB GLU B 7 -4.570 -17.390 -0.811 1.00 0.75 C ATOM 604 CG GLU B 7 -3.353 -17.218 0.084 1.00 0.78 C ATOM 605 CD GLU B 7 -2.772 -18.544 0.537 1.00 1.29 C ATOM 606 OE1 GLU B 7 -3.500 -19.558 0.492 1.00 1.94 O ATOM 607 OE2 GLU B 7 -1.590 -18.567 0.938 1.00 1.93 O ATOM 0 H GLU B 7 -7.019 -17.207 -1.002 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.052 -15.342 -0.378 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.285 -18.047 -0.316 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.266 -17.886 -1.733 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.589 -16.654 -0.452 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.630 -16.629 0.958 1.00 0.78 H new ATOM 614 N GLN B 8 -5.441 -15.820 -3.565 1.00 0.64 N ATOM 615 CA GLN B 8 -5.041 -15.355 -4.885 1.00 0.69 C ATOM 616 C GLN B 8 -5.429 -13.894 -5.069 1.00 0.63 C ATOM 617 O GLN B 8 -4.651 -13.087 -5.583 1.00 0.67 O ATOM 618 CB GLN B 8 -5.695 -16.214 -5.970 1.00 0.82 C ATOM 619 CG GLN B 8 -4.869 -16.316 -7.242 1.00 1.18 C ATOM 620 CD GLN B 8 -3.648 -17.200 -7.075 1.00 1.54 C ATOM 621 OE1 GLN B 8 -3.698 -18.402 -7.334 1.00 2.16 O ATOM 622 NE2 GLN B 8 -2.543 -16.606 -6.640 1.00 2.22 N ATOM 0 H GLN B 8 -6.299 -16.372 -3.553 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.958 -15.444 -4.972 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.866 -17.216 -5.576 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.672 -15.797 -6.213 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.492 -16.711 -8.045 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.552 -15.318 -7.546 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -2.547 -15.606 -6.438 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -1.690 -17.149 -6.508 1.00 2.22 H new ATOM 631 N LYS B 9 -6.640 -13.561 -4.636 1.00 0.57 N ATOM 632 CA LYS B 9 -7.142 -12.199 -4.741 1.00 0.58 C ATOM 633 C LYS B 9 -6.251 -11.233 -3.969 1.00 0.50 C ATOM 634 O LYS B 9 -6.025 -10.102 -4.400 1.00 0.59 O ATOM 635 CB LYS B 9 -8.578 -12.119 -4.218 1.00 0.64 C ATOM 636 CG LYS B 9 -9.487 -11.244 -5.064 1.00 1.01 C ATOM 637 CD LYS B 9 -10.953 -11.514 -4.768 1.00 1.26 C ATOM 638 CE LYS B 9 -11.493 -10.563 -3.713 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.581 -11.186 -2.909 1.00 2.37 N ATOM 0 H LYS B 9 -7.292 -14.218 -4.208 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.132 -11.914 -5.793 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.996 -13.125 -4.173 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.563 -11.734 -3.198 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.264 -10.194 -4.874 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.289 -11.426 -6.120 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -11.535 -11.411 -5.684 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.073 -12.543 -4.428 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -10.683 -10.256 -3.052 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.869 -9.661 -4.196 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -12.922 -10.505 -2.201 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -13.365 -11.456 -3.536 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.216 -12.033 -2.428 1.00 2.37 H new ATOM 653 N ILE B 10 -5.744 -11.685 -2.825 1.00 0.41 N ATOM 654 CA ILE B 10 -4.877 -10.850 -2.005 1.00 0.38 C ATOM 655 C ILE B 10 -3.528 -10.635 -2.674 1.00 0.36 C ATOM 656 O ILE B 10 -3.013 -9.521 -2.692 1.00 0.37 O ATOM 657 CB ILE B 10 -4.643 -11.440 -0.604 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.244 -12.913 -0.682 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.881 -11.265 0.260 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.794 -13.484 0.647 1.00 1.11 C ATOM 0 H ILE B 10 -5.918 -12.617 -2.449 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.395 -9.897 -1.898 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.818 -10.896 -0.144 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.091 -13.492 -1.050 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.440 -13.026 -1.409 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.698 -11.688 1.248 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -6.110 -10.204 0.356 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.724 -11.778 -0.204 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.525 -14.533 0.520 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.928 -12.929 1.007 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.604 -13.402 1.371 1.00 1.11 H new ATOM 672 N ASP B 11 -2.962 -11.703 -3.234 1.00 0.39 N ATOM 673 CA ASP B 11 -1.672 -11.609 -3.911 1.00 0.47 C ATOM 674 C ASP B 11 -1.683 -10.436 -4.880 1.00 0.48 C ATOM 675 O ASP B 11 -0.680 -9.740 -5.058 1.00 0.52 O ATOM 676 CB ASP B 11 -1.364 -12.907 -4.659 1.00 0.58 C ATOM 677 CG ASP B 11 0.124 -13.127 -4.846 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.768 -12.293 -5.515 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.645 -14.134 -4.323 1.00 1.45 O ATOM 0 H ASP B 11 -3.374 -12.636 -3.232 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.894 -11.449 -3.164 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.787 -13.749 -4.110 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.851 -12.886 -5.634 1.00 0.58 H new ATOM 684 N ASP B 12 -2.844 -10.207 -5.483 1.00 0.48 N ATOM 685 CA ASP B 12 -3.008 -9.102 -6.416 1.00 0.53 C ATOM 686 C ASP B 12 -2.879 -7.785 -5.668 1.00 0.49 C ATOM 687 O ASP B 12 -2.144 -6.885 -6.079 1.00 0.54 O ATOM 688 CB ASP B 12 -4.370 -9.184 -7.110 1.00 0.60 C ATOM 689 CG ASP B 12 -4.560 -8.088 -8.140 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.545 -7.575 -8.656 1.00 1.32 O ATOM 691 OD2 ASP B 12 -5.725 -7.743 -8.431 1.00 1.44 O ATOM 0 H ASP B 12 -3.682 -10.771 -5.342 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.231 -9.162 -7.179 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.470 -10.155 -7.594 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -5.160 -9.117 -6.362 1.00 0.60 H new ATOM 696 N ILE B 13 -3.587 -7.691 -4.548 1.00 0.43 N ATOM 697 CA ILE B 13 -3.542 -6.499 -3.719 1.00 0.44 C ATOM 698 C ILE B 13 -2.121 -6.246 -3.234 1.00 0.42 C ATOM 699 O ILE B 13 -1.624 -5.129 -3.310 1.00 0.45 O ATOM 700 CB ILE B 13 -4.479 -6.624 -2.501 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.885 -7.026 -2.949 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.517 -5.317 -1.720 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.889 -7.089 -1.818 1.00 0.50 C ATOM 0 H ILE B 13 -4.198 -8.428 -4.196 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.877 -5.662 -4.331 1.00 0.44 H new ATOM 0 HB ILE B 13 -4.091 -7.403 -1.844 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.236 -6.314 -3.696 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.837 -8.000 -3.435 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.183 -5.424 -0.864 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.514 -5.073 -1.371 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.881 -4.518 -2.366 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.863 -7.380 -2.212 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.561 -7.822 -1.081 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.967 -6.110 -1.346 1.00 0.50 H new ATOM 715 N ASP B 14 -1.468 -7.300 -2.747 1.00 0.40 N ATOM 716 CA ASP B 14 -0.095 -7.197 -2.258 1.00 0.43 C ATOM 717 C ASP B 14 0.788 -6.466 -3.263 1.00 0.46 C ATOM 718 O ASP B 14 1.725 -5.762 -2.885 1.00 0.48 O ATOM 719 CB ASP B 14 0.475 -8.589 -1.982 1.00 0.44 C ATOM 720 CG ASP B 14 1.369 -8.616 -0.758 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.067 -7.889 0.213 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.370 -9.362 -0.770 1.00 1.32 O ATOM 0 H ASP B 14 -1.869 -8.236 -2.681 1.00 0.40 H new ATOM 0 HA ASP B 14 -0.109 -6.625 -1.330 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.345 -9.294 -1.845 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.042 -8.925 -2.850 1.00 0.44 H new ATOM 727 N HIS B 15 0.476 -6.630 -4.544 1.00 0.47 N ATOM 728 CA HIS B 15 1.234 -5.976 -5.600 1.00 0.52 C ATOM 729 C HIS B 15 0.871 -4.500 -5.676 1.00 0.53 C ATOM 730 O HIS B 15 1.686 -3.665 -6.073 1.00 0.56 O ATOM 731 CB HIS B 15 0.960 -6.651 -6.945 1.00 0.56 C ATOM 732 CG HIS B 15 2.038 -6.423 -7.959 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.099 -5.567 -7.751 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.218 -6.948 -9.194 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.883 -5.573 -8.814 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.371 -6.403 -9.703 1.00 1.19 N ATOM 0 H HIS B 15 -0.296 -7.210 -4.874 1.00 0.47 H new ATOM 0 HA HIS B 15 2.296 -6.065 -5.370 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.842 -7.723 -6.787 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.015 -6.281 -7.342 1.00 0.56 H new ATOM 0 HD1 HIS B 15 3.254 -5.015 -6.907 1.00 0.92 H new ATOM 0 HD2 HIS B 15 1.575 -7.662 -9.687 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.789 -4.997 -8.935 1.00 1.12 H new ATOM 745 N GLU B 16 -0.361 -4.184 -5.291 1.00 0.52 N ATOM 746 CA GLU B 16 -0.838 -2.809 -5.314 1.00 0.56 C ATOM 747 C GLU B 16 -0.448 -2.072 -4.038 1.00 0.57 C ATOM 748 O GLU B 16 -0.171 -0.875 -4.062 1.00 0.64 O ATOM 749 CB GLU B 16 -2.356 -2.778 -5.492 1.00 0.58 C ATOM 750 CG GLU B 16 -2.868 -3.768 -6.523 1.00 0.59 C ATOM 751 CD GLU B 16 -4.367 -3.979 -6.436 1.00 1.29 C ATOM 752 OE1 GLU B 16 -4.918 -3.870 -5.321 1.00 2.03 O ATOM 753 OE2 GLU B 16 -4.990 -4.254 -7.485 1.00 1.99 O ATOM 0 H GLU B 16 -1.046 -4.863 -4.959 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.369 -2.304 -6.158 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.830 -2.987 -4.533 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.659 -1.773 -5.785 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.612 -3.412 -7.521 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.362 -4.724 -6.386 1.00 0.59 H new ATOM 760 N ILE B 17 -0.426 -2.799 -2.926 1.00 0.53 N ATOM 761 CA ILE B 17 -0.069 -2.220 -1.636 1.00 0.57 C ATOM 762 C ILE B 17 1.382 -1.755 -1.638 1.00 0.57 C ATOM 763 O ILE B 17 1.732 -0.763 -0.998 1.00 0.61 O ATOM 764 CB ILE B 17 -0.267 -3.235 -0.492 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.651 -3.879 -0.582 1.00 0.58 C ATOM 766 CG2 ILE B 17 -0.085 -2.555 0.858 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.709 -5.272 0.004 1.00 1.06 C ATOM 0 H ILE B 17 -0.652 -3.793 -2.892 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.728 -1.367 -1.472 1.00 0.57 H new ATOM 0 HB ILE B 17 0.485 -4.018 -0.590 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.372 -3.246 -0.065 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.956 -3.921 -1.628 1.00 0.58 H new ATOM 0 HG21 ILE B 17 -0.228 -3.285 1.655 1.00 0.66 H new ATOM 0 HG22 ILE B 17 0.920 -2.139 0.923 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.817 -1.754 0.964 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.720 -5.666 -0.095 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -1.013 -5.920 -0.529 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.435 -5.235 1.058 1.00 1.06 H new ATOM 779 N ALA B 18 2.223 -2.487 -2.363 1.00 0.53 N ATOM 780 CA ALA B 18 3.640 -2.162 -2.456 1.00 0.55 C ATOM 781 C ALA B 18 3.883 -1.036 -3.455 1.00 0.55 C ATOM 782 O ALA B 18 4.756 -0.192 -3.252 1.00 0.57 O ATOM 783 CB ALA B 18 4.436 -3.399 -2.849 1.00 0.58 C ATOM 0 H ALA B 18 1.945 -3.311 -2.896 1.00 0.53 H new ATOM 0 HA ALA B 18 3.975 -1.820 -1.477 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.494 -3.145 -2.916 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.296 -4.176 -2.097 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.089 -3.763 -3.816 1.00 0.58 H new ATOM 789 N ASP B 19 3.104 -1.029 -4.534 1.00 0.55 N ATOM 790 CA ASP B 19 3.237 -0.003 -5.563 1.00 0.57 C ATOM 791 C ASP B 19 3.137 1.392 -4.952 1.00 0.55 C ATOM 792 O ASP B 19 3.942 2.274 -5.254 1.00 0.57 O ATOM 793 CB ASP B 19 2.160 -0.184 -6.634 1.00 0.61 C ATOM 794 CG ASP B 19 2.701 0.008 -8.037 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.634 0.821 -8.207 1.00 1.58 O ATOM 796 OD2 ASP B 19 2.194 -0.655 -8.965 1.00 1.57 O ATOM 0 H ASP B 19 2.377 -1.720 -4.718 1.00 0.55 H new ATOM 0 HA ASP B 19 4.218 -0.109 -6.025 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.729 -1.182 -6.547 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.353 0.528 -6.458 1.00 0.61 H new ATOM 801 N LEU B 20 2.146 1.580 -4.088 1.00 0.52 N ATOM 802 CA LEU B 20 1.942 2.864 -3.429 1.00 0.52 C ATOM 803 C LEU B 20 3.089 3.168 -2.474 1.00 0.50 C ATOM 804 O LEU B 20 3.665 4.256 -2.505 1.00 0.50 O ATOM 805 CB LEU B 20 0.614 2.868 -2.671 1.00 0.57 C ATOM 806 CG LEU B 20 -0.561 2.225 -3.410 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.867 2.539 -2.700 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.613 2.692 -4.858 1.00 0.62 C ATOM 0 H LEU B 20 1.472 0.860 -3.828 1.00 0.52 H new ATOM 0 HA LEU B 20 1.914 3.639 -4.195 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.754 2.349 -1.723 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.353 3.899 -2.434 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.416 1.145 -3.409 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.694 2.075 -3.237 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.831 2.149 -1.683 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -2.014 3.619 -2.670 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.457 2.221 -5.362 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.732 3.775 -4.887 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.312 2.415 -5.363 1.00 0.62 H new ATOM 820 N GLN B 21 3.417 2.201 -1.622 1.00 0.51 N ATOM 821 CA GLN B 21 4.496 2.363 -0.653 1.00 0.52 C ATOM 822 C GLN B 21 5.778 2.832 -1.335 1.00 0.51 C ATOM 823 O GLN B 21 6.557 3.594 -0.761 1.00 0.51 O ATOM 824 CB GLN B 21 4.749 1.048 0.086 1.00 0.56 C ATOM 825 CG GLN B 21 5.090 1.233 1.556 1.00 0.88 C ATOM 826 CD GLN B 21 4.557 0.110 2.424 1.00 1.31 C ATOM 827 OE1 GLN B 21 4.599 -1.059 2.043 1.00 1.98 O ATOM 828 NE2 GLN B 21 4.050 0.462 3.600 1.00 1.93 N ATOM 0 H GLN B 21 2.950 1.295 -1.583 1.00 0.51 H new ATOM 0 HA GLN B 21 4.191 3.123 0.066 1.00 0.52 H new ATOM 0 HB2 GLN B 21 3.863 0.418 0.003 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.565 0.517 -0.404 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.172 1.292 1.669 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.681 2.182 1.904 1.00 0.88 H new ATOM 0 HE21 GLN B 21 4.035 1.444 3.876 1.00 1.93 H new ATOM 0 HE22 GLN B 21 3.675 -0.250 4.227 1.00 1.93 H new ATOM 837 N ALA B 22 5.991 2.373 -2.564 1.00 0.52 N ATOM 838 CA ALA B 22 7.176 2.747 -3.325 1.00 0.55 C ATOM 839 C ALA B 22 7.119 4.212 -3.739 1.00 0.54 C ATOM 840 O ALA B 22 8.140 4.897 -3.777 1.00 0.62 O ATOM 841 CB ALA B 22 7.321 1.856 -4.550 1.00 0.60 C ATOM 0 H ALA B 22 5.358 1.741 -3.054 1.00 0.52 H new ATOM 0 HA ALA B 22 8.048 2.609 -2.685 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.211 2.147 -5.109 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.414 0.817 -4.235 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.442 1.965 -5.185 1.00 0.60 H new ATOM 847 N LYS B 23 5.916 4.687 -4.045 1.00 0.54 N ATOM 848 CA LYS B 23 5.724 6.073 -4.454 1.00 0.55 C ATOM 849 C LYS B 23 6.044 7.028 -3.308 1.00 0.49 C ATOM 850 O LYS B 23 6.545 8.130 -3.528 1.00 0.55 O ATOM 851 CB LYS B 23 4.287 6.293 -4.930 1.00 0.59 C ATOM 852 CG LYS B 23 3.954 5.565 -6.223 1.00 0.69 C ATOM 853 CD LYS B 23 2.554 4.973 -6.186 1.00 0.76 C ATOM 854 CE LYS B 23 1.797 5.243 -7.476 1.00 0.96 C ATOM 855 NZ LYS B 23 2.086 4.216 -8.516 1.00 1.43 N ATOM 0 H LYS B 23 5.060 4.133 -4.017 1.00 0.54 H new ATOM 0 HA LYS B 23 6.407 6.280 -5.278 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.601 5.963 -4.150 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.120 7.361 -5.071 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.036 6.256 -7.062 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.681 4.771 -6.392 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.618 3.898 -6.019 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.003 5.394 -5.345 1.00 0.76 H new ATOM 0 HE2 LYS B 23 0.726 5.261 -7.272 1.00 0.96 H new ATOM 0 HE3 LYS B 23 2.066 6.229 -7.855 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 1.550 4.436 -9.380 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 3.104 4.216 -8.730 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 1.806 3.278 -8.165 1.00 1.43 H new ATOM 869 N ARG B 24 5.747 6.598 -2.086 1.00 0.45 N ATOM 870 CA ARG B 24 6.001 7.416 -0.905 1.00 0.47 C ATOM 871 C ARG B 24 7.496 7.515 -0.618 1.00 0.52 C ATOM 872 O ARG B 24 8.011 8.594 -0.325 1.00 0.60 O ATOM 873 CB ARG B 24 5.276 6.832 0.309 1.00 0.55 C ATOM 874 CG ARG B 24 4.056 7.634 0.731 1.00 1.05 C ATOM 875 CD ARG B 24 3.766 7.473 2.214 1.00 1.09 C ATOM 876 NE ARG B 24 3.772 8.755 2.916 1.00 1.29 N ATOM 877 CZ ARG B 24 4.127 8.906 4.190 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.490 7.857 4.919 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.113 10.112 4.742 1.00 2.12 N ATOM 0 H ARG B 24 5.330 5.688 -1.887 1.00 0.45 H new ATOM 0 HA ARG B 24 5.622 8.419 -1.102 1.00 0.47 H new ATOM 0 HB2 ARG B 24 4.969 5.811 0.082 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.972 6.777 1.146 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.216 8.688 0.503 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.190 7.311 0.153 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.796 6.993 2.344 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.510 6.813 2.659 1.00 1.09 H new ATOM 0 HE ARG B 24 3.486 9.586 2.397 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.498 6.926 4.503 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.760 7.983 5.894 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.830 10.922 4.190 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.385 10.229 5.718 1.00 2.12 H new ATOM 893 N THR B 25 8.186 6.382 -0.697 1.00 0.52 N ATOM 894 CA THR B 25 9.621 6.339 -0.439 1.00 0.60 C ATOM 895 C THR B 25 10.379 7.221 -1.421 1.00 0.61 C ATOM 896 O THR B 25 11.126 8.114 -1.020 1.00 0.67 O ATOM 897 CB THR B 25 10.136 4.905 -0.533 1.00 0.64 C ATOM 898 OG1 THR B 25 9.077 3.977 -0.373 1.00 0.70 O ATOM 899 CG2 THR B 25 11.195 4.578 0.498 1.00 0.75 C ATOM 0 H THR B 25 7.774 5.480 -0.938 1.00 0.52 H new ATOM 0 HA THR B 25 9.790 6.716 0.570 1.00 0.60 H new ATOM 0 HB THR B 25 10.582 4.826 -1.524 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.429 3.065 -0.438 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.516 3.544 0.374 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.049 5.242 0.365 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.783 4.713 1.498 1.00 0.75 H new ATOM 907 N ARG B 26 10.181 6.967 -2.712 1.00 0.61 N ATOM 908 CA ARG B 26 10.850 7.743 -3.751 1.00 0.68 C ATOM 909 C ARG B 26 10.674 9.234 -3.491 1.00 0.64 C ATOM 910 O ARG B 26 11.619 10.017 -3.613 1.00 0.71 O ATOM 911 CB ARG B 26 10.301 7.376 -5.132 1.00 0.72 C ATOM 912 CG ARG B 26 8.813 7.642 -5.294 1.00 0.67 C ATOM 913 CD ARG B 26 8.361 7.453 -6.736 1.00 1.10 C ATOM 914 NE ARG B 26 9.023 6.321 -7.382 1.00 1.56 N ATOM 915 CZ ARG B 26 10.166 6.413 -8.061 1.00 2.14 C ATOM 916 NH1 ARG B 26 10.786 7.581 -8.182 1.00 2.60 N ATOM 917 NH2 ARG B 26 10.692 5.331 -8.621 1.00 2.89 N ATOM 0 H ARG B 26 9.565 6.233 -3.062 1.00 0.61 H new ATOM 0 HA ARG B 26 11.914 7.507 -3.729 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.845 7.939 -5.890 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.494 6.320 -5.320 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.251 6.971 -4.645 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.588 8.659 -4.972 1.00 0.67 H new ATOM 0 HD2 ARG B 26 7.282 7.301 -6.759 1.00 1.10 H new ATOM 0 HD3 ARG B 26 8.567 8.362 -7.301 1.00 1.10 H new ATOM 0 HE ARG B 26 8.583 5.404 -7.308 1.00 1.56 H new ATOM 0 HH11 ARG B 26 10.388 8.417 -7.753 1.00 2.60 H new ATOM 0 HH12 ARG B 26 11.660 7.643 -8.703 1.00 2.60 H new ATOM 0 HH21 ARG B 26 10.221 4.430 -8.531 1.00 2.89 H new ATOM 0 HH22 ARG B 26 11.567 5.400 -9.141 1.00 2.89 H new ATOM 931 N LEU B 27 9.462 9.615 -3.110 1.00 0.57 N ATOM 932 CA LEU B 27 9.165 11.005 -2.811 1.00 0.55 C ATOM 933 C LEU B 27 9.987 11.467 -1.616 1.00 0.56 C ATOM 934 O LEU B 27 10.486 12.592 -1.590 1.00 0.61 O ATOM 935 CB LEU B 27 7.674 11.185 -2.528 1.00 0.51 C ATOM 936 CG LEU B 27 6.792 11.330 -3.770 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.386 10.823 -3.489 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.755 12.780 -4.230 1.00 1.34 C ATOM 0 H LEU B 27 8.671 8.980 -3.001 1.00 0.57 H new ATOM 0 HA LEU B 27 9.427 11.612 -3.677 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.324 10.330 -1.950 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.542 12.068 -1.903 1.00 0.51 H new ATOM 0 HG LEU B 27 7.221 10.726 -4.569 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.774 10.934 -4.384 1.00 1.38 H new ATOM 0 HD12 LEU B 27 5.428 9.771 -3.207 1.00 1.38 H new ATOM 0 HD13 LEU B 27 4.947 11.400 -2.675 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.123 12.865 -5.114 1.00 1.34 H new ATOM 0 HD22 LEU B 27 6.350 13.404 -3.433 1.00 1.34 H new ATOM 0 HD23 LEU B 27 7.765 13.111 -4.472 1.00 1.34 H new ATOM 950 N VAL B 28 10.141 10.583 -0.631 1.00 0.57 N ATOM 951 CA VAL B 28 10.921 10.904 0.556 1.00 0.63 C ATOM 952 C VAL B 28 12.372 11.152 0.178 1.00 0.73 C ATOM 953 O VAL B 28 12.984 12.125 0.618 1.00 0.79 O ATOM 954 CB VAL B 28 10.863 9.775 1.600 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.556 10.201 2.887 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.422 9.365 1.870 1.00 0.63 C ATOM 0 H VAL B 28 9.738 9.646 -0.634 1.00 0.57 H new ATOM 0 HA VAL B 28 10.487 11.803 0.994 1.00 0.63 H new ATOM 0 HB VAL B 28 11.391 8.909 1.200 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.505 9.390 3.613 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.600 10.436 2.678 1.00 0.77 H new ATOM 0 HG13 VAL B 28 11.060 11.083 3.292 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.404 8.566 2.611 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.864 10.222 2.247 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.964 9.013 0.945 1.00 0.63 H new ATOM 966 N GLN B 29 12.911 10.271 -0.658 1.00 0.80 N ATOM 967 CA GLN B 29 14.288 10.400 -1.119 1.00 0.92 C ATOM 968 C GLN B 29 14.519 11.798 -1.676 1.00 0.94 C ATOM 969 O GLN B 29 15.629 12.329 -1.621 1.00 1.02 O ATOM 970 CB GLN B 29 14.596 9.348 -2.187 1.00 1.05 C ATOM 971 CG GLN B 29 14.501 7.918 -1.678 1.00 1.34 C ATOM 972 CD GLN B 29 15.354 7.679 -0.448 1.00 1.63 C ATOM 973 OE1 GLN B 29 16.449 8.227 -0.321 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.856 6.857 0.468 1.00 1.99 N ATOM 0 H GLN B 29 12.416 9.461 -1.030 1.00 0.80 H new ATOM 0 HA GLN B 29 14.957 10.239 -0.274 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.905 9.475 -3.020 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.599 9.520 -2.576 1.00 1.05 H new ATOM 0 HG2 GLN B 29 13.461 7.688 -1.445 1.00 1.34 H new ATOM 0 HG3 GLN B 29 14.810 7.234 -2.468 1.00 1.34 H new ATOM 0 HE21 GLN B 29 13.944 6.424 0.323 1.00 1.99 H new ATOM 0 HE22 GLN B 29 15.385 6.659 1.317 1.00 1.99 H new ATOM 983 N GLN B 30 13.451 12.394 -2.201 1.00 0.93 N ATOM 984 CA GLN B 30 13.520 13.738 -2.755 1.00 1.05 C ATOM 985 C GLN B 30 13.590 14.772 -1.635 1.00 1.03 C ATOM 986 O GLN B 30 14.211 15.824 -1.787 1.00 1.16 O ATOM 987 CB GLN B 30 12.303 14.009 -3.642 1.00 1.14 C ATOM 988 CG GLN B 30 12.622 14.840 -4.874 1.00 1.56 C ATOM 989 CD GLN B 30 12.825 13.990 -6.112 1.00 1.85 C ATOM 990 OE1 GLN B 30 13.926 13.504 -6.371 1.00 2.32 O ATOM 991 NE2 GLN B 30 11.762 13.807 -6.886 1.00 2.39 N ATOM 0 H GLN B 30 12.527 11.964 -2.253 1.00 0.93 H new ATOM 0 HA GLN B 30 14.423 13.816 -3.361 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.874 13.058 -3.957 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.542 14.523 -3.054 1.00 1.14 H new ATOM 0 HG2 GLN B 30 11.811 15.546 -5.051 1.00 1.56 H new ATOM 0 HG3 GLN B 30 13.522 15.427 -4.689 1.00 1.56 H new ATOM 0 HE21 GLN B 30 10.868 14.229 -6.633 1.00 2.39 H new ATOM 0 HE22 GLN B 30 11.839 13.245 -7.734 1.00 2.39 H new ATOM 1000 N HIS B 31 12.955 14.462 -0.505 1.00 0.92 N ATOM 1001 CA HIS B 31 12.957 15.367 0.642 1.00 1.01 C ATOM 1002 C HIS B 31 13.084 14.590 1.953 1.00 1.11 C ATOM 1003 O HIS B 31 12.194 14.635 2.802 1.00 1.33 O ATOM 1004 CB HIS B 31 11.686 16.222 0.660 1.00 1.26 C ATOM 1005 CG HIS B 31 10.433 15.432 0.870 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.968 14.516 -0.042 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.545 15.427 1.893 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.847 13.983 0.406 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.568 14.515 1.581 1.00 3.18 N ATOM 0 H HIS B 31 12.436 13.596 -0.360 1.00 0.92 H new ATOM 0 HA HIS B 31 13.821 16.025 0.545 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.772 16.968 1.450 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.610 16.764 -0.283 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.419 14.284 -0.927 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.596 16.029 2.788 1.00 2.73 H new ATOM 0 HE1 HIS B 31 8.257 13.236 -0.104 1.00 2.71 H new ATOM 1018 N PRO B 32 14.200 13.863 2.134 1.00 1.38 N ATOM 1019 CA PRO B 32 14.441 13.075 3.343 1.00 1.79 C ATOM 1020 C PRO B 32 14.938 13.928 4.504 1.00 1.86 C ATOM 1021 O PRO B 32 14.577 13.698 5.657 1.00 2.31 O ATOM 1022 CB PRO B 32 15.520 12.092 2.899 1.00 2.24 C ATOM 1023 CG PRO B 32 16.294 12.834 1.862 1.00 2.17 C ATOM 1024 CD PRO B 32 15.314 13.750 1.172 1.00 1.64 C ATOM 0 HA PRO B 32 13.533 12.600 3.715 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.156 11.796 3.734 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.083 11.180 2.492 1.00 2.24 H new ATOM 0 HG2 PRO B 32 17.104 13.404 2.316 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.749 12.145 1.150 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.758 14.722 0.958 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.981 13.335 0.221 1.00 1.64 H new ATOM 1032 N ARG B 33 15.769 14.913 4.188 1.00 2.06 N ATOM 1033 CA ARG B 33 16.321 15.805 5.201 1.00 2.26 C ATOM 1034 C ARG B 33 16.754 17.130 4.583 1.00 3.01 C ATOM 1035 O ARG B 33 16.031 18.132 4.765 1.00 3.62 O ATOM 1036 CB ARG B 33 17.508 15.142 5.902 1.00 2.19 C ATOM 1037 CG ARG B 33 18.480 14.469 4.945 1.00 2.87 C ATOM 1038 CD ARG B 33 18.657 12.994 5.272 1.00 3.48 C ATOM 1039 NE ARG B 33 19.785 12.406 4.554 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.311 11.217 4.846 1.00 4.96 C ATOM 1041 NH1 ARG B 33 19.813 10.488 5.837 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.336 10.757 4.142 1.00 5.81 N ATOM 0 H ARG B 33 16.076 15.115 3.237 1.00 2.06 H new ATOM 0 HA ARG B 33 15.541 16.007 5.935 1.00 2.26 H new ATOM 0 HB2 ARG B 33 18.043 15.894 6.482 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.135 14.401 6.609 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.117 14.575 3.923 1.00 2.87 H new ATOM 0 HG3 ARG B 33 19.446 14.972 4.994 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.809 12.876 6.345 1.00 3.48 H new ATOM 0 HD3 ARG B 33 17.745 12.454 5.018 1.00 3.48 H new ATOM 0 HE ARG B 33 20.194 12.936 3.784 1.00 4.18 H new ATOM 0 HH11 ARG B 33 19.023 10.837 6.380 1.00 5.21 H new ATOM 0 HH12 ARG B 33 20.220 9.579 6.056 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.721 11.313 3.378 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.740 9.847 4.364 1.00 5.81 H new TER 1056 ARG B 33