USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=8 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 Set 1.1: A 21 GLN : amide:sc=-0.00859 X(o=-0.25,f=-0.55) USER MOD Set 1.2: A 25 THR OG1 : rot 76:sc= -0.239 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.014) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.56) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= -0.718 K(o=-0.72,f=-4.2!) USER MOD Single : A 31 HIS : no HE2:sc= -8.09! C(o=-8.1!,f=-19!) USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.14) USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : B 9 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.7) USER MOD Single : B 15 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.52) USER MOD Single : B 21 GLN : amide:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : B 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0139) USER MOD Single : B 25 THR OG1 : rot 69:sc= 0.0202 USER MOD Single : B 29 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : B 30 GLN : amide:sc= -0.951 X(o=-0.95,f=-1.2!) USER MOD Single : B 31 HIS : no HE2:sc= -8.01! C(o=-8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.142 20.127 4.219 1.00 4.71 N ATOM 2 CA CYS A 1 11.215 19.768 5.324 1.00 4.20 C ATOM 3 C CYS A 1 9.891 19.238 4.783 1.00 3.72 C ATOM 4 O CYS A 1 9.442 18.156 5.163 1.00 4.32 O ATOM 5 CB CYS A 1 10.976 21.012 6.182 1.00 4.04 C ATOM 6 SG CYS A 1 10.853 20.675 7.954 1.00 4.94 S ATOM 0 H1 CYS A 1 13.034 20.484 4.617 1.00 4.71 H new ATOM 0 H2 CYS A 1 12.334 19.285 3.639 1.00 4.71 H new ATOM 0 H3 CYS A 1 11.707 20.863 3.627 1.00 4.71 H new ATOM 0 HA CYS A 1 11.663 18.977 5.925 1.00 4.20 H new ATOM 0 HB2 CYS A 1 11.789 21.718 6.013 1.00 4.04 H new ATOM 0 HB3 CYS A 1 10.058 21.498 5.851 1.00 4.04 H new ATOM 0 HG CYS A 1 10.653 21.788 8.595 1.00 4.94 H new ATOM 12 N GLY A 2 9.272 20.007 3.894 1.00 3.04 N ATOM 13 CA GLY A 2 8.006 19.600 3.313 1.00 2.89 C ATOM 14 C GLY A 2 6.954 20.689 3.393 1.00 2.25 C ATOM 15 O GLY A 2 7.262 21.870 3.244 1.00 2.72 O ATOM 0 H GLY A 2 9.625 20.906 3.565 1.00 3.04 H new ATOM 0 HA2 GLY A 2 8.160 19.324 2.270 1.00 2.89 H new ATOM 0 HA3 GLY A 2 7.643 18.710 3.827 1.00 2.89 H new ATOM 19 N GLY A 3 5.705 20.290 3.627 1.00 1.84 N ATOM 20 CA GLY A 3 4.623 21.253 3.717 1.00 1.56 C ATOM 21 C GLY A 3 4.605 22.205 2.540 1.00 1.41 C ATOM 22 O GLY A 3 4.248 23.374 2.680 1.00 1.64 O ATOM 0 H GLY A 3 5.425 19.318 3.756 1.00 1.84 H new ATOM 0 HA2 GLY A 3 3.671 20.724 3.769 1.00 1.56 H new ATOM 0 HA3 GLY A 3 4.722 21.822 4.641 1.00 1.56 H new ATOM 26 N ASP A 4 5.004 21.701 1.376 1.00 1.16 N ATOM 27 CA ASP A 4 5.047 22.513 0.169 1.00 1.32 C ATOM 28 C ASP A 4 4.130 21.945 -0.910 1.00 1.31 C ATOM 29 O ASP A 4 2.983 22.369 -1.056 1.00 1.72 O ATOM 30 CB ASP A 4 6.484 22.596 -0.351 1.00 1.55 C ATOM 31 CG ASP A 4 7.362 23.478 0.515 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.017 24.665 0.696 1.00 2.71 O ATOM 33 OD2 ASP A 4 8.397 22.983 1.011 1.00 2.50 O ATOM 0 H ASP A 4 5.302 20.734 1.245 1.00 1.16 H new ATOM 0 HA ASP A 4 4.695 23.514 0.418 1.00 1.32 H new ATOM 0 HB2 ASP A 4 6.910 21.594 -0.394 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.477 22.983 -1.370 1.00 1.55 H new ATOM 38 N ASN A 5 4.646 20.979 -1.658 1.00 1.09 N ATOM 39 CA ASN A 5 3.892 20.334 -2.724 1.00 1.25 C ATOM 40 C ASN A 5 4.274 18.864 -2.797 1.00 1.13 C ATOM 41 O ASN A 5 3.415 17.987 -2.887 1.00 1.48 O ATOM 42 CB ASN A 5 4.166 21.017 -4.065 1.00 1.53 C ATOM 43 CG ASN A 5 3.288 20.477 -5.178 1.00 2.03 C ATOM 44 OD1 ASN A 5 3.778 20.101 -6.243 1.00 2.64 O ATOM 45 ND2 ASN A 5 1.983 20.438 -4.936 1.00 2.27 N ATOM 0 H ASN A 5 5.595 20.622 -1.544 1.00 1.09 H new ATOM 0 HA ASN A 5 2.827 20.421 -2.508 1.00 1.25 H new ATOM 0 HB2 ASN A 5 4.001 22.090 -3.964 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.214 20.879 -4.333 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.343 20.086 -5.648 1.00 2.27 H new ATOM 0 HD22 ASN A 5 1.621 20.760 -4.038 1.00 2.27 H new ATOM 52 N ILE A 6 5.575 18.604 -2.732 1.00 0.80 N ATOM 53 CA ILE A 6 6.085 17.242 -2.762 1.00 0.71 C ATOM 54 C ILE A 6 5.635 16.504 -1.515 1.00 0.63 C ATOM 55 O ILE A 6 5.057 15.419 -1.586 1.00 0.60 O ATOM 56 CB ILE A 6 7.626 17.201 -2.826 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.175 18.364 -3.663 1.00 1.10 C ATOM 58 CG2 ILE A 6 8.085 15.868 -3.386 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.642 18.226 -4.018 1.00 1.80 C ATOM 0 H ILE A 6 6.296 19.322 -2.658 1.00 0.80 H new ATOM 0 HA ILE A 6 5.691 16.767 -3.660 1.00 0.71 H new ATOM 0 HB ILE A 6 8.018 17.310 -1.815 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.595 18.443 -4.582 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.030 19.294 -3.114 1.00 1.10 H new ATOM 0 HG21 ILE A 6 9.174 15.847 -3.428 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.731 15.062 -2.743 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.680 15.736 -4.390 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.956 19.086 -4.610 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.235 18.179 -3.104 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.792 17.314 -4.596 1.00 1.80 H new ATOM 71 N GLU A 7 5.908 17.115 -0.370 1.00 0.66 N ATOM 72 CA GLU A 7 5.538 16.544 0.920 1.00 0.63 C ATOM 73 C GLU A 7 4.040 16.266 0.986 1.00 0.59 C ATOM 74 O GLU A 7 3.604 15.308 1.624 1.00 0.56 O ATOM 75 CB GLU A 7 5.940 17.487 2.055 1.00 0.76 C ATOM 76 CG GLU A 7 5.884 16.834 3.428 1.00 0.78 C ATOM 77 CD GLU A 7 7.122 16.016 3.737 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.236 16.576 3.669 1.00 1.96 O ATOM 79 OE2 GLU A 7 6.978 14.815 4.049 1.00 2.15 O ATOM 0 H GLU A 7 6.388 18.013 -0.308 1.00 0.66 H new ATOM 0 HA GLU A 7 6.071 15.600 1.033 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.951 17.851 1.874 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.282 18.356 2.046 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.764 17.606 4.188 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.005 16.191 3.485 1.00 0.78 H new ATOM 86 N GLN A 8 3.258 17.108 0.322 1.00 0.64 N ATOM 87 CA GLN A 8 1.808 16.950 0.306 1.00 0.64 C ATOM 88 C GLN A 8 1.397 15.850 -0.665 1.00 0.58 C ATOM 89 O GLN A 8 0.451 15.104 -0.412 1.00 0.60 O ATOM 90 CB GLN A 8 1.134 18.267 -0.080 1.00 0.74 C ATOM 91 CG GLN A 8 -0.364 18.282 0.177 1.00 1.08 C ATOM 92 CD GLN A 8 -1.078 19.365 -0.606 1.00 1.55 C ATOM 93 OE1 GLN A 8 -1.777 20.203 -0.036 1.00 2.21 O ATOM 94 NE2 GLN A 8 -0.907 19.355 -1.924 1.00 2.21 N ATOM 0 H GLN A 8 3.602 17.906 -0.212 1.00 0.64 H new ATOM 0 HA GLN A 8 1.485 16.668 1.308 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.598 19.080 0.478 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.315 18.462 -1.137 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.784 17.311 -0.087 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.545 18.429 1.242 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -0.319 18.643 -2.357 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.364 20.060 -2.503 1.00 2.21 H new ATOM 103 N LYS A 9 2.117 15.755 -1.777 1.00 0.56 N ATOM 104 CA LYS A 9 1.831 14.745 -2.788 1.00 0.54 C ATOM 105 C LYS A 9 1.959 13.343 -2.203 1.00 0.47 C ATOM 106 O LYS A 9 1.158 12.457 -2.505 1.00 0.52 O ATOM 107 CB LYS A 9 2.776 14.903 -3.980 1.00 0.59 C ATOM 108 CG LYS A 9 2.118 14.610 -5.321 1.00 0.86 C ATOM 109 CD LYS A 9 2.112 15.833 -6.225 1.00 1.16 C ATOM 110 CE LYS A 9 3.121 15.696 -7.356 1.00 1.65 C ATOM 111 NZ LYS A 9 2.630 16.319 -8.616 1.00 2.42 N ATOM 0 H LYS A 9 2.903 16.365 -2.001 1.00 0.56 H new ATOM 0 HA LYS A 9 0.805 14.886 -3.128 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.167 15.920 -3.991 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.628 14.236 -3.849 1.00 0.59 H new ATOM 0 HG2 LYS A 9 2.647 13.795 -5.815 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.094 14.273 -5.158 1.00 0.86 H new ATOM 0 HD2 LYS A 9 1.114 15.974 -6.641 1.00 1.16 H new ATOM 0 HD3 LYS A 9 2.341 16.722 -5.637 1.00 1.16 H new ATOM 0 HE2 LYS A 9 4.061 16.163 -7.062 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.330 14.641 -7.530 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 3.346 16.204 -9.362 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 1.746 15.857 -8.910 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 2.455 17.332 -8.457 1.00 2.42 H new ATOM 125 N ILE A 10 2.971 13.147 -1.366 1.00 0.42 N ATOM 126 CA ILE A 10 3.197 11.850 -0.744 1.00 0.38 C ATOM 127 C ILE A 10 2.118 11.533 0.281 1.00 0.38 C ATOM 128 O ILE A 10 1.621 10.410 0.337 1.00 0.38 O ATOM 129 CB ILE A 10 4.569 11.761 -0.058 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.816 12.972 0.843 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.676 11.628 -1.093 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.029 12.821 1.733 1.00 0.95 C ATOM 0 H ILE A 10 3.645 13.867 -1.104 1.00 0.42 H new ATOM 0 HA ILE A 10 3.164 11.121 -1.553 1.00 0.38 H new ATOM 0 HB ILE A 10 4.573 10.870 0.570 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.939 13.859 0.221 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.937 13.138 1.465 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.640 11.566 -0.589 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.516 10.725 -1.682 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.666 12.497 -1.751 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.145 13.716 2.345 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.900 11.953 2.380 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.918 12.685 1.117 1.00 0.95 H new ATOM 144 N ASP A 11 1.751 12.524 1.089 1.00 0.41 N ATOM 145 CA ASP A 11 0.721 12.332 2.106 1.00 0.46 C ATOM 146 C ASP A 11 -0.514 11.692 1.484 1.00 0.46 C ATOM 147 O ASP A 11 -1.199 10.880 2.110 1.00 0.50 O ATOM 148 CB ASP A 11 0.350 13.669 2.752 1.00 0.54 C ATOM 149 CG ASP A 11 1.243 14.008 3.930 1.00 0.75 C ATOM 150 OD1 ASP A 11 2.477 14.057 3.745 1.00 1.32 O ATOM 151 OD2 ASP A 11 0.708 14.221 5.038 1.00 1.48 O ATOM 0 H ASP A 11 2.149 13.463 1.060 1.00 0.41 H new ATOM 0 HA ASP A 11 1.114 11.670 2.878 1.00 0.46 H new ATOM 0 HB2 ASP A 11 0.419 14.461 2.007 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.688 13.634 3.084 1.00 0.54 H new ATOM 156 N ASP A 12 -0.771 12.048 0.232 1.00 0.46 N ATOM 157 CA ASP A 12 -1.904 11.499 -0.497 1.00 0.51 C ATOM 158 C ASP A 12 -1.669 10.021 -0.749 1.00 0.48 C ATOM 159 O ASP A 12 -2.540 9.183 -0.505 1.00 0.52 O ATOM 160 CB ASP A 12 -2.101 12.238 -1.821 1.00 0.56 C ATOM 161 CG ASP A 12 -3.564 12.443 -2.157 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.218 11.467 -2.583 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.058 13.579 -1.995 1.00 1.28 O ATOM 0 H ASP A 12 -0.210 12.714 -0.299 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.808 11.626 0.099 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.604 13.207 -1.771 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.623 11.675 -2.623 1.00 0.56 H new ATOM 168 N ILE A 13 -0.469 9.707 -1.220 1.00 0.43 N ATOM 169 CA ILE A 13 -0.094 8.330 -1.486 1.00 0.44 C ATOM 170 C ILE A 13 -0.164 7.509 -0.207 1.00 0.44 C ATOM 171 O ILE A 13 -0.725 6.420 -0.193 1.00 0.47 O ATOM 172 CB ILE A 13 1.327 8.237 -2.072 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.466 9.172 -3.274 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.650 6.801 -2.465 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.818 9.097 -3.949 1.00 0.47 C ATOM 0 H ILE A 13 0.260 10.390 -1.425 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.798 7.933 -2.218 1.00 0.44 H new ATOM 0 HB ILE A 13 2.040 8.548 -1.309 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.692 8.930 -4.003 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.289 10.197 -2.948 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.658 6.755 -2.877 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.588 6.160 -1.585 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.936 6.459 -3.214 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.842 9.787 -4.792 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.596 9.368 -3.236 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.991 8.082 -4.306 1.00 0.47 H new ATOM 187 N ASP A 14 0.401 8.047 0.872 1.00 0.43 N ATOM 188 CA ASP A 14 0.396 7.367 2.165 1.00 0.47 C ATOM 189 C ASP A 14 -1.001 6.867 2.514 1.00 0.51 C ATOM 190 O ASP A 14 -1.157 5.824 3.151 1.00 0.55 O ATOM 191 CB ASP A 14 0.900 8.307 3.260 1.00 0.49 C ATOM 192 CG ASP A 14 1.746 7.589 4.294 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.487 6.659 3.913 1.00 1.26 O ATOM 194 OD2 ASP A 14 1.667 7.958 5.486 1.00 1.29 O ATOM 0 H ASP A 14 0.869 8.953 0.876 1.00 0.43 H new ATOM 0 HA ASP A 14 1.063 6.507 2.096 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.486 9.107 2.807 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.048 8.776 3.753 1.00 0.49 H new ATOM 199 N HIS A 15 -2.014 7.611 2.085 1.00 0.51 N ATOM 200 CA HIS A 15 -3.395 7.234 2.345 1.00 0.56 C ATOM 201 C HIS A 15 -3.807 6.079 1.443 1.00 0.57 C ATOM 202 O HIS A 15 -4.667 5.272 1.798 1.00 0.62 O ATOM 203 CB HIS A 15 -4.323 8.428 2.118 1.00 0.59 C ATOM 204 CG HIS A 15 -5.623 8.325 2.853 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.990 7.212 3.580 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.647 9.204 2.971 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.183 7.411 4.113 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.602 8.612 3.759 1.00 1.11 N ATOM 0 H HIS A 15 -1.904 8.477 1.557 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.476 6.916 3.384 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.811 9.339 2.428 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.525 8.523 1.051 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.702 10.187 2.528 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.723 6.710 4.733 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.492 9.032 4.028 1.00 1.11 H new ATOM 217 N GLU A 16 -3.185 6.008 0.272 1.00 0.54 N ATOM 218 CA GLU A 16 -3.485 4.956 -0.687 1.00 0.57 C ATOM 219 C GLU A 16 -2.677 3.697 -0.390 1.00 0.57 C ATOM 220 O GLU A 16 -3.157 2.581 -0.578 1.00 0.63 O ATOM 221 CB GLU A 16 -3.196 5.438 -2.110 1.00 0.56 C ATOM 222 CG GLU A 16 -3.677 6.855 -2.380 1.00 0.57 C ATOM 223 CD GLU A 16 -5.163 6.919 -2.678 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.965 6.813 -1.726 1.00 1.99 O ATOM 225 OE2 GLU A 16 -5.525 7.076 -3.863 1.00 2.07 O ATOM 0 H GLU A 16 -2.470 6.667 -0.035 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.544 4.712 -0.600 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.122 5.386 -2.292 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.672 4.760 -2.818 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.456 7.481 -1.515 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.123 7.269 -3.223 1.00 0.57 H new ATOM 232 N ILE A 17 -1.449 3.888 0.081 1.00 0.54 N ATOM 233 CA ILE A 17 -0.569 2.774 0.409 1.00 0.57 C ATOM 234 C ILE A 17 -1.145 1.948 1.551 1.00 0.59 C ATOM 235 O ILE A 17 -0.949 0.734 1.617 1.00 0.62 O ATOM 236 CB ILE A 17 0.835 3.267 0.809 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.364 4.267 -0.219 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.792 2.093 0.950 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.336 5.270 0.360 1.00 0.94 C ATOM 0 H ILE A 17 -1.040 4.808 0.244 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.488 2.156 -0.485 1.00 0.57 H new ATOM 0 HB ILE A 17 0.761 3.770 1.773 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.854 3.722 -1.026 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.523 4.801 -0.661 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.779 2.460 1.233 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.423 1.413 1.718 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.861 1.563 -0.000 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.670 5.948 -0.425 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.844 5.841 1.147 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.196 4.745 0.776 1.00 0.94 H new ATOM 251 N ALA A 18 -1.859 2.619 2.449 1.00 0.58 N ATOM 252 CA ALA A 18 -2.469 1.958 3.595 1.00 0.61 C ATOM 253 C ALA A 18 -3.778 1.279 3.207 1.00 0.62 C ATOM 254 O ALA A 18 -4.091 0.192 3.690 1.00 0.66 O ATOM 255 CB ALA A 18 -2.703 2.960 4.716 1.00 0.65 C ATOM 0 H ALA A 18 -2.029 3.624 2.404 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.783 1.187 3.947 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.159 2.454 5.567 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.751 3.395 5.020 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.367 3.750 4.365 1.00 0.65 H new ATOM 261 N ASP A 19 -4.539 1.927 2.329 1.00 0.61 N ATOM 262 CA ASP A 19 -5.816 1.384 1.876 1.00 0.64 C ATOM 263 C ASP A 19 -5.644 -0.034 1.336 1.00 0.61 C ATOM 264 O ASP A 19 -6.446 -0.922 1.626 1.00 0.66 O ATOM 265 CB ASP A 19 -6.423 2.283 0.798 1.00 0.66 C ATOM 266 CG ASP A 19 -7.918 2.464 0.972 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.571 1.538 1.497 1.00 1.64 O ATOM 268 OD2 ASP A 19 -8.436 3.532 0.582 1.00 1.79 O ATOM 0 H ASP A 19 -4.294 2.828 1.918 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.491 1.348 2.731 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.936 3.258 0.825 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.223 1.854 -0.184 1.00 0.66 H new ATOM 273 N LEU A 20 -4.591 -0.238 0.551 1.00 0.56 N ATOM 274 CA LEU A 20 -4.313 -1.547 -0.027 1.00 0.54 C ATOM 275 C LEU A 20 -3.860 -2.530 1.046 1.00 0.52 C ATOM 276 O LEU A 20 -4.417 -3.619 1.181 1.00 0.50 O ATOM 277 CB LEU A 20 -3.245 -1.434 -1.115 1.00 0.58 C ATOM 278 CG LEU A 20 -3.416 -0.257 -2.079 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.445 -0.380 -3.240 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.848 -0.180 -2.587 1.00 0.62 C ATOM 0 H LEU A 20 -3.917 0.486 0.301 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.235 -1.921 -0.472 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.269 -1.352 -0.636 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.239 -2.358 -1.693 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.197 0.664 -1.539 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.578 0.464 -3.917 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.423 -0.383 -2.861 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.636 -1.309 -3.777 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.947 0.663 -3.270 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.098 -1.103 -3.111 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.526 -0.046 -1.744 1.00 0.62 H new ATOM 292 N GLN A 21 -2.840 -2.140 1.806 1.00 0.54 N ATOM 293 CA GLN A 21 -2.304 -2.987 2.867 1.00 0.55 C ATOM 294 C GLN A 21 -3.410 -3.470 3.800 1.00 0.53 C ATOM 295 O GLN A 21 -3.360 -4.588 4.312 1.00 0.53 O ATOM 296 CB GLN A 21 -1.244 -2.226 3.666 1.00 0.60 C ATOM 297 CG GLN A 21 -0.383 -3.122 4.543 1.00 0.87 C ATOM 298 CD GLN A 21 -0.624 -2.896 6.022 1.00 1.25 C ATOM 299 OE1 GLN A 21 -1.104 -3.783 6.728 1.00 1.99 O ATOM 300 NE2 GLN A 21 -0.290 -1.703 6.501 1.00 1.74 N ATOM 0 H GLN A 21 -2.368 -1.241 1.706 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.846 -3.859 2.401 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.601 -1.682 2.974 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.737 -1.484 4.293 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.587 -4.165 4.301 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.668 -2.942 4.318 1.00 0.87 H new ATOM 0 HE21 GLN A 21 0.105 -0.997 5.880 1.00 1.74 H new ATOM 0 HE22 GLN A 21 -0.429 -1.493 7.490 1.00 1.74 H new ATOM 309 N ALA A 22 -4.408 -2.619 4.015 1.00 0.55 N ATOM 310 CA ALA A 22 -5.527 -2.960 4.886 1.00 0.57 C ATOM 311 C ALA A 22 -6.444 -3.985 4.226 1.00 0.55 C ATOM 312 O ALA A 22 -7.069 -4.800 4.905 1.00 0.65 O ATOM 313 CB ALA A 22 -6.309 -1.709 5.254 1.00 0.65 C ATOM 0 H ALA A 22 -4.465 -1.690 3.599 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.125 -3.404 5.796 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.141 -1.978 5.904 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.654 -1.010 5.774 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.693 -1.241 4.348 1.00 0.65 H new ATOM 319 N LYS A 23 -6.520 -3.936 2.900 1.00 0.53 N ATOM 320 CA LYS A 23 -7.363 -4.860 2.149 1.00 0.55 C ATOM 321 C LYS A 23 -6.746 -6.254 2.104 1.00 0.50 C ATOM 322 O LYS A 23 -7.457 -7.257 2.075 1.00 0.57 O ATOM 323 CB LYS A 23 -7.582 -4.340 0.727 1.00 0.61 C ATOM 324 CG LYS A 23 -8.596 -3.212 0.640 1.00 0.70 C ATOM 325 CD LYS A 23 -8.323 -2.307 -0.549 1.00 0.79 C ATOM 326 CE LYS A 23 -8.908 -0.919 -0.339 1.00 0.96 C ATOM 327 NZ LYS A 23 -8.947 -0.135 -1.605 1.00 1.53 N ATOM 0 H LYS A 23 -6.009 -3.267 2.324 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.324 -4.928 2.658 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.630 -3.993 0.326 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.913 -5.164 0.095 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.600 -3.629 0.558 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.569 -2.626 1.558 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -7.248 -2.229 -0.709 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.748 -2.750 -1.450 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -9.917 -1.007 0.064 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.314 -0.383 0.402 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -9.352 0.805 -1.419 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -7.982 -0.028 -1.977 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -9.534 -0.633 -2.304 1.00 1.53 H new ATOM 341 N ARG A 24 -5.418 -6.309 2.094 1.00 0.46 N ATOM 342 CA ARG A 24 -4.706 -7.582 2.046 1.00 0.50 C ATOM 343 C ARG A 24 -4.803 -8.318 3.381 1.00 0.52 C ATOM 344 O ARG A 24 -4.985 -9.535 3.415 1.00 0.60 O ATOM 345 CB ARG A 24 -3.237 -7.352 1.686 1.00 0.61 C ATOM 346 CG ARG A 24 -2.421 -8.633 1.612 1.00 1.15 C ATOM 347 CD ARG A 24 -1.435 -8.603 0.456 1.00 1.41 C ATOM 348 NE ARG A 24 -1.149 -9.941 -0.054 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.450 -10.855 0.614 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.036 -10.579 1.818 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.235 -12.048 0.077 1.00 2.74 N ATOM 0 H ARG A 24 -4.813 -5.488 2.118 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.173 -8.200 1.279 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.183 -6.840 0.725 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.790 -6.688 2.426 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -1.881 -8.775 2.548 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.091 -9.485 1.498 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.838 -7.987 -0.348 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.507 -8.134 0.783 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.506 -10.190 -0.977 1.00 1.70 H new ATOM 0 HH11 ARG A 24 -0.126 -9.663 2.235 1.00 2.89 H new ATOM 0 HH12 ARG A 24 0.571 -11.283 2.326 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.605 -12.265 -0.848 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.301 -12.749 0.589 1.00 2.74 H new ATOM 365 N THR A 25 -4.675 -7.575 4.474 1.00 0.53 N ATOM 366 CA THR A 25 -4.741 -8.160 5.810 1.00 0.60 C ATOM 367 C THR A 25 -6.125 -8.728 6.100 1.00 0.59 C ATOM 368 O THR A 25 -6.262 -9.904 6.439 1.00 0.67 O ATOM 369 CB THR A 25 -4.384 -7.116 6.866 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.653 -6.048 6.292 1.00 0.77 O ATOM 371 CG2 THR A 25 -3.564 -7.674 8.008 1.00 0.81 C ATOM 0 H THR A 25 -4.525 -6.566 4.463 1.00 0.53 H new ATOM 0 HA THR A 25 -4.019 -8.976 5.848 1.00 0.60 H new ATOM 0 HB THR A 25 -5.339 -6.771 7.262 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.262 -5.469 5.787 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.346 -6.879 8.721 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.125 -8.465 8.506 1.00 0.81 H new ATOM 0 HG23 THR A 25 -2.630 -8.080 7.621 1.00 0.81 H new ATOM 379 N ARG A 26 -7.151 -7.889 5.971 1.00 0.56 N ATOM 380 CA ARG A 26 -8.523 -8.318 6.226 1.00 0.61 C ATOM 381 C ARG A 26 -8.817 -9.621 5.494 1.00 0.58 C ATOM 382 O ARG A 26 -9.420 -10.541 6.050 1.00 0.65 O ATOM 383 CB ARG A 26 -9.515 -7.233 5.800 1.00 0.64 C ATOM 384 CG ARG A 26 -9.578 -7.013 4.295 1.00 0.59 C ATOM 385 CD ARG A 26 -10.618 -5.965 3.926 1.00 1.02 C ATOM 386 NE ARG A 26 -11.702 -6.528 3.123 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.791 -7.097 3.635 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.952 -7.184 4.950 1.00 2.38 N ATOM 389 NH2 ARG A 26 -13.726 -7.582 2.829 1.00 2.54 N ATOM 0 H ARG A 26 -7.058 -6.912 5.692 1.00 0.56 H new ATOM 0 HA ARG A 26 -8.636 -8.487 7.297 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.508 -7.501 6.160 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.243 -6.295 6.284 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.600 -6.700 3.931 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.816 -7.954 3.799 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -11.030 -5.527 4.835 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.139 -5.158 3.373 1.00 1.02 H new ATOM 0 HE ARG A 26 -11.619 -6.482 2.107 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.238 -6.813 5.577 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.790 -7.622 5.333 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -13.610 -7.519 1.818 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -14.561 -8.018 3.221 1.00 2.54 H new ATOM 403 N LEU A 27 -8.365 -9.699 4.249 1.00 0.51 N ATOM 404 CA LEU A 27 -8.560 -10.898 3.449 1.00 0.51 C ATOM 405 C LEU A 27 -7.853 -12.077 4.103 1.00 0.53 C ATOM 406 O LEU A 27 -8.374 -13.192 4.126 1.00 0.59 O ATOM 407 CB LEU A 27 -8.035 -10.687 2.027 1.00 0.47 C ATOM 408 CG LEU A 27 -9.111 -10.422 0.972 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.877 -9.150 1.297 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.488 -10.334 -0.413 1.00 1.35 C ATOM 0 H LEU A 27 -7.863 -8.949 3.774 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.627 -11.111 3.392 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.340 -9.848 2.034 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.467 -11.569 1.731 1.00 0.47 H new ATOM 0 HG LEU A 27 -9.814 -11.255 0.980 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.638 -8.979 0.535 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.355 -9.252 2.271 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -9.188 -8.306 1.318 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.267 -10.145 -1.151 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.763 -9.520 -0.435 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -7.987 -11.273 -0.647 1.00 1.35 H new ATOM 422 N VAL A 28 -6.670 -11.817 4.654 1.00 0.54 N ATOM 423 CA VAL A 28 -5.902 -12.856 5.326 1.00 0.62 C ATOM 424 C VAL A 28 -6.667 -13.378 6.530 1.00 0.72 C ATOM 425 O VAL A 28 -6.776 -14.587 6.738 1.00 0.79 O ATOM 426 CB VAL A 28 -4.529 -12.338 5.788 1.00 0.65 C ATOM 427 CG1 VAL A 28 -3.697 -13.472 6.371 1.00 0.77 C ATOM 428 CG2 VAL A 28 -3.795 -11.661 4.640 1.00 0.62 C ATOM 0 H VAL A 28 -6.226 -10.899 4.647 1.00 0.54 H new ATOM 0 HA VAL A 28 -5.744 -13.660 4.607 1.00 0.62 H new ATOM 0 HB VAL A 28 -4.688 -11.596 6.571 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -2.730 -13.086 6.692 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.218 -13.903 7.226 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -3.547 -14.241 5.613 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -2.827 -11.302 4.989 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.647 -12.376 3.831 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.385 -10.819 4.277 1.00 0.62 H new ATOM 438 N GLN A 29 -7.215 -12.454 7.314 1.00 0.76 N ATOM 439 CA GLN A 29 -7.995 -12.816 8.491 1.00 0.87 C ATOM 440 C GLN A 29 -9.078 -13.818 8.108 1.00 0.87 C ATOM 441 O GLN A 29 -9.498 -14.641 8.921 1.00 0.97 O ATOM 442 CB GLN A 29 -8.625 -11.573 9.120 1.00 0.95 C ATOM 443 CG GLN A 29 -7.634 -10.707 9.880 1.00 1.50 C ATOM 444 CD GLN A 29 -7.824 -9.227 9.609 1.00 1.68 C ATOM 445 OE1 GLN A 29 -8.923 -8.693 9.756 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.749 -8.557 9.209 1.00 2.15 N ATOM 0 H GLN A 29 -7.133 -11.450 7.155 1.00 0.76 H new ATOM 0 HA GLN A 29 -7.330 -13.273 9.224 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.090 -10.976 8.336 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -9.420 -11.883 9.799 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -7.740 -10.893 10.949 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -6.620 -10.996 9.605 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -5.858 -9.041 9.101 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -6.815 -7.559 9.010 1.00 2.15 H new ATOM 455 N GLN A 30 -9.514 -13.743 6.853 1.00 0.83 N ATOM 456 CA GLN A 30 -10.536 -14.647 6.343 1.00 0.93 C ATOM 457 C GLN A 30 -9.939 -16.022 6.064 1.00 0.96 C ATOM 458 O GLN A 30 -10.621 -17.040 6.180 1.00 1.09 O ATOM 459 CB GLN A 30 -11.161 -14.079 5.068 1.00 0.98 C ATOM 460 CG GLN A 30 -12.521 -14.673 4.741 1.00 1.46 C ATOM 461 CD GLN A 30 -13.609 -14.194 5.682 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.329 -13.723 6.785 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.859 -14.312 5.251 1.00 2.29 N ATOM 0 H GLN A 30 -9.174 -13.064 6.172 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.313 -14.749 7.100 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.261 -12.999 5.172 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -10.485 -14.257 4.231 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.790 -14.412 3.718 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -12.459 -15.760 4.787 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -15.046 -14.708 4.330 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -15.633 -14.007 5.841 1.00 2.29 H new ATOM 472 N HIS A 31 -8.655 -16.050 5.701 1.00 0.87 N ATOM 473 CA HIS A 31 -7.974 -17.311 5.416 1.00 0.98 C ATOM 474 C HIS A 31 -6.569 -17.324 6.021 1.00 1.03 C ATOM 475 O HIS A 31 -5.572 -17.411 5.302 1.00 1.06 O ATOM 476 CB HIS A 31 -7.903 -17.561 3.907 1.00 0.99 C ATOM 477 CG HIS A 31 -7.026 -16.595 3.176 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.276 -15.244 3.134 1.00 1.72 N ATOM 479 CD2 HIS A 31 -5.897 -16.789 2.453 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.343 -14.649 2.415 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.491 -15.562 1.991 1.00 2.47 N ATOM 0 H HIS A 31 -8.071 -15.220 5.598 1.00 0.87 H new ATOM 0 HA HIS A 31 -8.553 -18.113 5.874 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.538 -18.573 3.733 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -8.910 -17.510 3.492 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.060 -14.775 3.588 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.407 -17.734 2.273 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.287 -13.590 2.208 1.00 2.19 H new ATOM 490 N PRO A 32 -6.471 -17.241 7.358 1.00 1.13 N ATOM 491 CA PRO A 32 -5.184 -17.245 8.058 1.00 1.29 C ATOM 492 C PRO A 32 -4.545 -18.629 8.090 1.00 1.57 C ATOM 493 O PRO A 32 -3.322 -18.759 8.141 1.00 2.23 O ATOM 494 CB PRO A 32 -5.552 -16.793 9.471 1.00 1.44 C ATOM 495 CG PRO A 32 -6.962 -17.236 9.651 1.00 1.39 C ATOM 496 CD PRO A 32 -7.608 -17.137 8.293 1.00 1.19 C ATOM 0 HA PRO A 32 -4.450 -16.606 7.568 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -4.896 -17.245 10.215 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -5.459 -15.712 9.578 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.004 -18.257 10.029 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -7.479 -16.606 10.375 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.332 -17.936 8.134 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.142 -16.195 8.171 1.00 1.19 H new ATOM 504 N ARG A 33 -5.381 -19.661 8.060 1.00 1.74 N ATOM 505 CA ARG A 33 -4.899 -21.037 8.086 1.00 2.03 C ATOM 506 C ARG A 33 -5.590 -21.876 7.016 1.00 3.00 C ATOM 507 O ARG A 33 -6.546 -22.597 7.300 1.00 3.75 O ATOM 508 CB ARG A 33 -5.133 -21.656 9.466 1.00 1.88 C ATOM 509 CG ARG A 33 -4.535 -20.846 10.605 1.00 2.44 C ATOM 510 CD ARG A 33 -5.478 -20.777 11.796 1.00 3.16 C ATOM 511 NE ARG A 33 -4.797 -20.331 13.009 1.00 3.92 N ATOM 512 CZ ARG A 33 -5.364 -20.311 14.213 1.00 4.70 C ATOM 513 NH1 ARG A 33 -6.620 -20.711 14.369 1.00 4.92 N ATOM 514 NH2 ARG A 33 -4.673 -19.891 15.265 1.00 5.58 N ATOM 0 H ARG A 33 -6.396 -19.571 8.018 1.00 1.74 H new ATOM 0 HA ARG A 33 -3.829 -21.025 7.878 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -6.205 -21.762 9.630 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -4.707 -22.659 9.482 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -3.590 -21.293 10.913 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -4.312 -19.837 10.257 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -6.298 -20.096 11.570 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -5.918 -21.760 11.968 1.00 3.16 H new ATOM 0 HE ARG A 33 -3.830 -20.016 12.929 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -7.156 -21.036 13.564 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -7.050 -20.694 15.294 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -3.707 -19.583 15.151 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -5.108 -19.876 16.188 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -18.289 -23.534 -0.755 1.00 5.15 N ATOM 530 CA CYS B 1 -17.266 -23.387 -1.782 1.00 4.44 C ATOM 531 C CYS B 1 -16.212 -22.368 -1.359 1.00 3.68 C ATOM 532 O CYS B 1 -16.459 -21.162 -1.374 1.00 4.02 O ATOM 533 CB CYS B 1 -17.901 -22.960 -3.107 1.00 4.47 C ATOM 534 SG CYS B 1 -16.931 -23.404 -4.567 1.00 5.51 S ATOM 0 H1 CYS B 1 -18.995 -24.232 -1.065 1.00 5.15 H new ATOM 0 H2 CYS B 1 -17.849 -23.857 0.130 1.00 5.15 H new ATOM 0 H3 CYS B 1 -18.755 -22.618 -0.596 1.00 5.15 H new ATOM 0 HA CYS B 1 -16.779 -24.353 -1.915 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -18.888 -23.415 -3.188 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -18.048 -21.880 -3.096 1.00 4.47 H new ATOM 0 HG CYS B 1 -17.550 -23.004 -5.638 1.00 5.51 H new ATOM 540 N GLY B 2 -15.038 -22.862 -0.980 1.00 3.11 N ATOM 541 CA GLY B 2 -13.966 -21.981 -0.556 1.00 2.73 C ATOM 542 C GLY B 2 -12.601 -22.474 -0.998 1.00 2.20 C ATOM 543 O GLY B 2 -12.488 -23.220 -1.970 1.00 2.81 O ATOM 0 H GLY B 2 -14.810 -23.856 -0.959 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -14.138 -20.984 -0.961 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.982 -21.891 0.530 1.00 2.73 H new ATOM 547 N GLY B 3 -11.563 -22.056 -0.282 1.00 1.66 N ATOM 548 CA GLY B 3 -10.214 -22.469 -0.620 1.00 1.45 C ATOM 549 C GLY B 3 -9.220 -21.327 -0.543 1.00 1.30 C ATOM 550 O GLY B 3 -9.318 -20.467 0.332 1.00 1.48 O ATOM 0 H GLY B 3 -11.632 -21.438 0.527 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.901 -23.265 0.056 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -10.207 -22.885 -1.627 1.00 1.45 H new ATOM 554 N ASP B 4 -8.259 -21.318 -1.461 1.00 1.06 N ATOM 555 CA ASP B 4 -7.242 -20.274 -1.494 1.00 1.10 C ATOM 556 C ASP B 4 -7.648 -19.131 -2.420 1.00 1.01 C ATOM 557 O ASP B 4 -6.828 -18.279 -2.763 1.00 1.22 O ATOM 558 CB ASP B 4 -5.909 -20.851 -1.955 1.00 1.23 C ATOM 559 CG ASP B 4 -5.405 -21.951 -1.041 1.00 1.84 C ATOM 560 OD1 ASP B 4 -6.077 -23.000 -0.950 1.00 2.34 O ATOM 561 OD2 ASP B 4 -4.338 -21.764 -0.419 1.00 2.59 O ATOM 0 H ASP B 4 -8.163 -22.023 -2.192 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.141 -19.880 -0.483 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.017 -21.244 -2.966 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.168 -20.053 -2.001 1.00 1.23 H new ATOM 566 N ASN B 5 -8.916 -19.111 -2.816 1.00 0.92 N ATOM 567 CA ASN B 5 -9.425 -18.064 -3.695 1.00 1.02 C ATOM 568 C ASN B 5 -9.096 -16.694 -3.118 1.00 0.99 C ATOM 569 O ASN B 5 -8.918 -15.720 -3.850 1.00 1.39 O ATOM 570 CB ASN B 5 -10.938 -18.209 -3.881 1.00 1.19 C ATOM 571 CG ASN B 5 -11.302 -18.762 -5.245 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.104 -19.688 -5.359 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.710 -18.194 -6.290 1.00 1.86 N ATOM 0 H ASN B 5 -9.610 -19.807 -2.543 1.00 0.92 H new ATOM 0 HA ASN B 5 -8.946 -18.163 -4.669 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.335 -18.866 -3.108 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.413 -17.237 -3.748 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -10.914 -18.524 -7.233 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.051 -17.428 -6.149 1.00 1.86 H new ATOM 580 N ILE B 6 -9.001 -16.640 -1.796 1.00 0.68 N ATOM 581 CA ILE B 6 -8.674 -15.411 -1.097 1.00 0.63 C ATOM 582 C ILE B 6 -7.180 -15.137 -1.186 1.00 0.56 C ATOM 583 O ILE B 6 -6.755 -14.014 -1.457 1.00 0.53 O ATOM 584 CB ILE B 6 -9.084 -15.492 0.384 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.514 -16.018 0.517 1.00 0.87 C ATOM 586 CG2 ILE B 6 -8.951 -14.132 1.044 1.00 0.85 C ATOM 587 CD1 ILE B 6 -10.930 -16.280 1.948 1.00 1.57 C ATOM 0 H ILE B 6 -9.148 -17.443 -1.184 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.226 -14.600 -1.573 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.416 -16.188 0.891 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.201 -15.297 0.074 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -10.608 -16.941 -0.055 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.245 -14.205 2.091 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -7.916 -13.796 0.980 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.597 -13.416 0.536 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -11.955 -16.651 1.967 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.267 -17.024 2.389 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.869 -15.354 2.520 1.00 1.57 H new ATOM 599 N GLU B 7 -6.391 -16.183 -0.961 1.00 0.60 N ATOM 600 CA GLU B 7 -4.938 -16.082 -1.017 1.00 0.59 C ATOM 601 C GLU B 7 -4.484 -15.553 -2.373 1.00 0.57 C ATOM 602 O GLU B 7 -3.447 -14.900 -2.481 1.00 0.53 O ATOM 603 CB GLU B 7 -4.302 -17.449 -0.750 1.00 0.75 C ATOM 604 CG GLU B 7 -3.081 -17.386 0.154 1.00 0.78 C ATOM 605 CD GLU B 7 -2.658 -18.751 0.658 1.00 1.29 C ATOM 606 OE1 GLU B 7 -3.525 -19.645 0.750 1.00 1.93 O ATOM 607 OE2 GLU B 7 -1.459 -18.927 0.961 1.00 1.94 O ATOM 0 H GLU B 7 -6.737 -17.116 -0.737 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.615 -15.382 -0.247 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.046 -18.104 -0.297 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.017 -17.900 -1.701 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.253 -16.931 -0.391 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.296 -16.739 1.005 1.00 0.78 H new ATOM 614 N GLN B 8 -5.271 -15.834 -3.404 1.00 0.64 N ATOM 615 CA GLN B 8 -4.955 -15.379 -4.750 1.00 0.69 C ATOM 616 C GLN B 8 -5.334 -13.913 -4.914 1.00 0.63 C ATOM 617 O GLN B 8 -4.578 -13.117 -5.473 1.00 0.67 O ATOM 618 CB GLN B 8 -5.693 -16.231 -5.785 1.00 0.82 C ATOM 619 CG GLN B 8 -5.061 -16.195 -7.166 1.00 1.18 C ATOM 620 CD GLN B 8 -5.862 -16.971 -8.193 1.00 1.54 C ATOM 621 OE1 GLN B 8 -6.262 -18.111 -7.953 1.00 2.16 O ATOM 622 NE2 GLN B 8 -6.099 -16.357 -9.346 1.00 2.22 N ATOM 0 H GLN B 8 -6.133 -16.375 -3.333 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.882 -15.484 -4.909 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.726 -17.263 -5.437 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.725 -15.886 -5.858 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -4.966 -15.159 -7.491 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.053 -16.605 -7.111 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -5.748 -15.412 -9.502 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -6.632 -16.830 -10.076 1.00 2.22 H new ATOM 631 N LYS B 9 -6.513 -13.564 -4.413 1.00 0.57 N ATOM 632 CA LYS B 9 -7.003 -12.196 -4.491 1.00 0.58 C ATOM 633 C LYS B 9 -6.061 -11.241 -3.768 1.00 0.50 C ATOM 634 O LYS B 9 -5.875 -10.099 -4.191 1.00 0.59 O ATOM 635 CB LYS B 9 -8.410 -12.098 -3.894 1.00 0.64 C ATOM 636 CG LYS B 9 -9.355 -11.226 -4.706 1.00 1.01 C ATOM 637 CD LYS B 9 -10.182 -10.315 -3.813 1.00 1.26 C ATOM 638 CE LYS B 9 -11.316 -11.074 -3.141 1.00 1.86 C ATOM 639 NZ LYS B 9 -11.878 -10.322 -1.985 1.00 2.37 N ATOM 0 H LYS B 9 -7.148 -14.213 -3.947 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.044 -11.910 -5.542 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.832 -13.100 -3.813 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.340 -11.699 -2.882 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -8.781 -10.623 -5.410 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -10.019 -11.859 -5.296 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -9.541 -9.869 -3.053 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -10.591 -9.497 -4.405 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -12.105 -11.266 -3.868 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -10.953 -12.044 -2.801 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -11.942 -10.951 -1.159 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -11.259 -9.517 -1.760 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.827 -9.972 -2.227 1.00 2.37 H new ATOM 653 N ILE B 10 -5.466 -11.711 -2.675 1.00 0.41 N ATOM 654 CA ILE B 10 -4.546 -10.884 -1.907 1.00 0.38 C ATOM 655 C ILE B 10 -3.235 -10.685 -2.652 1.00 0.36 C ATOM 656 O ILE B 10 -2.712 -9.575 -2.705 1.00 0.37 O ATOM 657 CB ILE B 10 -4.240 -11.469 -0.518 1.00 0.42 C ATOM 658 CG1 ILE B 10 -3.833 -12.940 -0.610 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.437 -11.301 0.404 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.299 -13.498 0.690 1.00 1.11 C ATOM 0 H ILE B 10 -5.604 -12.652 -2.305 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.049 -9.926 -1.773 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.397 -10.918 -0.100 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.695 -13.529 -0.923 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.073 -13.051 -1.384 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.204 -11.720 1.383 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.669 -10.241 0.509 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.297 -11.821 -0.018 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.030 -14.545 0.553 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.418 -12.933 0.994 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.064 -13.418 1.462 1.00 1.11 H new ATOM 672 N ASP B 11 -2.708 -11.759 -3.234 1.00 0.39 N ATOM 673 CA ASP B 11 -1.457 -11.679 -3.982 1.00 0.47 C ATOM 674 C ASP B 11 -1.515 -10.511 -4.958 1.00 0.48 C ATOM 675 O ASP B 11 -0.516 -9.828 -5.201 1.00 0.52 O ATOM 676 CB ASP B 11 -1.200 -12.984 -4.738 1.00 0.58 C ATOM 677 CG ASP B 11 0.268 -13.187 -5.057 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.841 -12.343 -5.779 1.00 1.45 O ATOM 679 OD2 ASP B 11 0.845 -14.189 -4.586 1.00 1.51 O ATOM 0 H ASP B 11 -3.125 -12.689 -3.203 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.638 -11.520 -3.281 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.559 -13.823 -4.142 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.774 -12.983 -5.665 1.00 0.58 H new ATOM 684 N ASP B 12 -2.707 -10.275 -5.489 1.00 0.48 N ATOM 685 CA ASP B 12 -2.919 -9.176 -6.417 1.00 0.53 C ATOM 686 C ASP B 12 -2.746 -7.854 -5.687 1.00 0.49 C ATOM 687 O ASP B 12 -2.029 -6.963 -6.145 1.00 0.54 O ATOM 688 CB ASP B 12 -4.316 -9.258 -7.036 1.00 0.60 C ATOM 689 CG ASP B 12 -4.509 -10.514 -7.863 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.857 -11.534 -7.554 1.00 1.44 O ATOM 691 OD2 ASP B 12 -5.313 -10.480 -8.818 1.00 1.32 O ATOM 0 H ASP B 12 -3.540 -10.830 -5.293 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.185 -9.244 -7.220 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.064 -9.230 -6.243 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.484 -8.383 -7.664 1.00 0.60 H new ATOM 696 N ILE B 13 -3.395 -7.746 -4.534 1.00 0.43 N ATOM 697 CA ILE B 13 -3.305 -6.545 -3.721 1.00 0.44 C ATOM 698 C ILE B 13 -1.860 -6.290 -3.310 1.00 0.42 C ATOM 699 O ILE B 13 -1.364 -5.176 -3.429 1.00 0.45 O ATOM 700 CB ILE B 13 -4.181 -6.651 -2.455 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.611 -7.049 -2.828 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.173 -5.333 -1.691 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.541 -7.149 -1.639 1.00 0.50 C ATOM 0 H ILE B 13 -3.989 -8.477 -4.143 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.669 -5.715 -4.326 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.766 -7.425 -1.809 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.011 -6.318 -3.531 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.589 -8.009 -3.344 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.796 -5.425 -0.801 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.152 -5.089 -1.396 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.566 -4.541 -2.328 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.536 -7.435 -1.979 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.165 -7.900 -0.945 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.593 -6.184 -1.135 1.00 0.50 H new ATOM 715 N ASP B 14 -1.188 -7.336 -2.835 1.00 0.40 N ATOM 716 CA ASP B 14 0.207 -7.230 -2.412 1.00 0.43 C ATOM 717 C ASP B 14 1.046 -6.511 -3.462 1.00 0.46 C ATOM 718 O ASP B 14 1.986 -5.788 -3.134 1.00 0.48 O ATOM 719 CB ASP B 14 0.787 -8.621 -2.148 1.00 0.44 C ATOM 720 CG ASP B 14 1.686 -8.652 -0.927 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.528 -7.776 -0.051 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.549 -9.551 -0.849 1.00 1.32 O ATOM 0 H ASP B 14 -1.588 -8.269 -2.733 1.00 0.40 H new ATOM 0 HA ASP B 14 0.236 -6.647 -1.491 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.028 -9.332 -2.013 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.353 -8.947 -3.021 1.00 0.44 H new ATOM 727 N HIS B 15 0.692 -6.706 -4.728 1.00 0.47 N ATOM 728 CA HIS B 15 1.408 -6.070 -5.823 1.00 0.52 C ATOM 729 C HIS B 15 1.038 -4.595 -5.913 1.00 0.53 C ATOM 730 O HIS B 15 1.836 -3.766 -6.353 1.00 0.56 O ATOM 731 CB HIS B 15 1.085 -6.769 -7.144 1.00 0.56 C ATOM 732 CG HIS B 15 2.140 -6.588 -8.190 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.292 -5.858 -7.980 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.215 -7.046 -9.463 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.028 -5.875 -9.077 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.397 -6.590 -9.991 1.00 1.19 N ATOM 0 H HIS B 15 -0.085 -7.299 -5.019 1.00 0.47 H new ATOM 0 HA HIS B 15 2.478 -6.154 -5.631 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.948 -7.834 -6.958 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.138 -6.388 -7.525 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.481 -7.656 -9.968 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.983 -5.387 -9.205 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.734 -6.774 -10.936 1.00 1.19 H new ATOM 745 N GLU B 16 -0.181 -4.276 -5.492 1.00 0.52 N ATOM 746 CA GLU B 16 -0.661 -2.904 -5.525 1.00 0.56 C ATOM 747 C GLU B 16 -0.216 -2.140 -4.283 1.00 0.57 C ATOM 748 O GLU B 16 0.053 -0.941 -4.344 1.00 0.64 O ATOM 749 CB GLU B 16 -2.187 -2.880 -5.636 1.00 0.58 C ATOM 750 CG GLU B 16 -2.741 -3.896 -6.621 1.00 0.59 C ATOM 751 CD GLU B 16 -4.224 -4.143 -6.432 1.00 1.29 C ATOM 752 OE1 GLU B 16 -4.966 -3.164 -6.208 1.00 2.03 O ATOM 753 OE2 GLU B 16 -4.644 -5.317 -6.505 1.00 1.99 O ATOM 0 H GLU B 16 -0.853 -4.950 -5.125 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.232 -2.416 -6.400 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.618 -3.068 -4.652 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.505 -1.882 -5.938 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.561 -3.546 -7.638 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.203 -4.837 -6.508 1.00 0.59 H new ATOM 760 N ILE B 17 -0.136 -2.845 -3.162 1.00 0.53 N ATOM 761 CA ILE B 17 0.277 -2.244 -1.901 1.00 0.57 C ATOM 762 C ILE B 17 1.724 -1.769 -1.977 1.00 0.57 C ATOM 763 O ILE B 17 2.100 -0.774 -1.357 1.00 0.61 O ATOM 764 CB ILE B 17 0.142 -3.241 -0.734 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.243 -3.887 -0.739 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.400 -2.543 0.594 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.269 -5.272 -0.131 1.00 1.06 C ATOM 0 H ILE B 17 -0.353 -3.840 -3.101 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.380 -1.393 -1.721 1.00 0.57 H new ATOM 0 HB ILE B 17 0.888 -4.026 -0.862 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -1.935 -3.247 -0.192 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.604 -3.943 -1.766 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.301 -3.261 1.408 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.408 -2.128 0.597 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.324 -1.739 0.729 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.284 -5.667 -0.169 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.603 -5.928 -0.691 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -0.939 -5.220 0.906 1.00 1.06 H new ATOM 779 N ALA B 18 2.531 -2.495 -2.744 1.00 0.53 N ATOM 780 CA ALA B 18 3.940 -2.164 -2.908 1.00 0.55 C ATOM 781 C ALA B 18 4.132 -1.027 -3.906 1.00 0.55 C ATOM 782 O ALA B 18 4.991 -0.165 -3.719 1.00 0.57 O ATOM 783 CB ALA B 18 4.719 -3.395 -3.351 1.00 0.58 C ATOM 0 H ALA B 18 2.230 -3.320 -3.263 1.00 0.53 H new ATOM 0 HA ALA B 18 4.322 -1.828 -1.944 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.771 -3.136 -3.471 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.621 -4.178 -2.599 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.323 -3.753 -4.301 1.00 0.58 H new ATOM 789 N ASP B 19 3.330 -1.031 -4.966 1.00 0.55 N ATOM 790 CA ASP B 19 3.417 0.003 -5.993 1.00 0.57 C ATOM 791 C ASP B 19 3.299 1.395 -5.378 1.00 0.55 C ATOM 792 O ASP B 19 4.072 2.297 -5.703 1.00 0.57 O ATOM 793 CB ASP B 19 2.323 -0.199 -7.043 1.00 0.61 C ATOM 794 CG ASP B 19 2.829 -0.931 -8.271 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.518 -0.297 -9.098 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.537 -2.138 -8.405 1.00 1.58 O ATOM 0 H ASP B 19 2.614 -1.737 -5.137 1.00 0.55 H new ATOM 0 HA ASP B 19 4.392 -0.079 -6.474 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.499 -0.761 -6.602 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.925 0.771 -7.340 1.00 0.61 H new ATOM 801 N LEU B 20 2.329 1.560 -4.486 1.00 0.52 N ATOM 802 CA LEU B 20 2.110 2.842 -3.825 1.00 0.52 C ATOM 803 C LEU B 20 3.279 3.192 -2.913 1.00 0.50 C ATOM 804 O LEU B 20 3.841 4.284 -2.999 1.00 0.50 O ATOM 805 CB LEU B 20 0.811 2.813 -3.018 1.00 0.57 C ATOM 806 CG LEU B 20 -0.384 2.172 -3.725 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.667 2.471 -2.969 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.487 2.657 -5.164 1.00 0.62 C ATOM 0 H LEU B 20 1.682 0.823 -4.204 1.00 0.52 H new ATOM 0 HA LEU B 20 2.032 3.608 -4.597 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.993 2.275 -2.087 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.547 3.836 -2.749 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.233 1.093 -3.742 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.509 2.008 -3.484 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.595 2.070 -1.958 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.819 3.549 -2.922 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.344 2.187 -5.646 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.613 3.740 -5.175 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.422 2.392 -5.703 1.00 0.62 H new ATOM 820 N GLN B 21 3.639 2.261 -2.034 1.00 0.51 N ATOM 821 CA GLN B 21 4.740 2.473 -1.098 1.00 0.52 C ATOM 822 C GLN B 21 5.987 2.978 -1.819 1.00 0.51 C ATOM 823 O GLN B 21 6.750 3.778 -1.275 1.00 0.51 O ATOM 824 CB GLN B 21 5.059 1.176 -0.353 1.00 0.56 C ATOM 825 CG GLN B 21 5.811 1.393 0.950 1.00 0.88 C ATOM 826 CD GLN B 21 6.890 0.354 1.180 1.00 1.31 C ATOM 827 OE1 GLN B 21 6.858 -0.385 2.163 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.855 0.293 0.270 1.00 1.93 N ATOM 0 H GLN B 21 3.184 1.352 -1.950 1.00 0.51 H new ATOM 0 HA GLN B 21 4.429 3.232 -0.380 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.128 0.649 -0.142 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.651 0.530 -1.002 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.262 2.385 0.944 1.00 0.88 H new ATOM 0 HG3 GLN B 21 5.106 1.369 1.781 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.842 0.925 -0.530 1.00 1.93 H new ATOM 0 HE22 GLN B 21 8.609 -0.386 0.371 1.00 1.93 H new ATOM 837 N ALA B 22 6.188 2.509 -3.045 1.00 0.52 N ATOM 838 CA ALA B 22 7.341 2.916 -3.839 1.00 0.55 C ATOM 839 C ALA B 22 7.208 4.365 -4.292 1.00 0.54 C ATOM 840 O ALA B 22 8.199 5.087 -4.399 1.00 0.62 O ATOM 841 CB ALA B 22 7.504 1.997 -5.041 1.00 0.60 C ATOM 0 H ALA B 22 5.568 1.847 -3.511 1.00 0.52 H new ATOM 0 HA ALA B 22 8.230 2.838 -3.213 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.369 2.312 -5.625 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.651 0.973 -4.699 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.609 2.047 -5.661 1.00 0.60 H new ATOM 847 N LYS B 23 5.975 4.783 -4.558 1.00 0.54 N ATOM 848 CA LYS B 23 5.708 6.147 -5.001 1.00 0.55 C ATOM 849 C LYS B 23 6.010 7.154 -3.894 1.00 0.49 C ATOM 850 O LYS B 23 6.426 8.280 -4.163 1.00 0.55 O ATOM 851 CB LYS B 23 4.251 6.283 -5.444 1.00 0.59 C ATOM 852 CG LYS B 23 4.031 5.976 -6.917 1.00 0.69 C ATOM 853 CD LYS B 23 3.486 4.571 -7.119 1.00 0.76 C ATOM 854 CE LYS B 23 2.496 4.519 -8.272 1.00 0.96 C ATOM 855 NZ LYS B 23 2.671 3.292 -9.098 1.00 1.43 N ATOM 0 H LYS B 23 5.144 4.197 -4.475 1.00 0.54 H new ATOM 0 HA LYS B 23 6.362 6.360 -5.846 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.634 5.613 -4.846 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.911 7.298 -5.238 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.336 6.701 -7.341 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.972 6.083 -7.456 1.00 0.69 H new ATOM 0 HD2 LYS B 23 4.310 3.884 -7.314 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.999 4.233 -6.204 1.00 0.76 H new ATOM 0 HE2 LYS B 23 1.480 4.551 -7.880 1.00 0.96 H new ATOM 0 HE3 LYS B 23 2.623 5.401 -8.900 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 1.896 3.225 -9.788 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 3.580 3.339 -9.601 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 2.659 2.454 -8.482 1.00 1.43 H new ATOM 869 N ARG B 24 5.791 6.744 -2.650 1.00 0.45 N ATOM 870 CA ARG B 24 6.036 7.615 -1.504 1.00 0.47 C ATOM 871 C ARG B 24 7.529 7.754 -1.226 1.00 0.52 C ATOM 872 O ARG B 24 8.035 8.860 -1.039 1.00 0.60 O ATOM 873 CB ARG B 24 5.328 7.067 -0.263 1.00 0.55 C ATOM 874 CG ARG B 24 4.087 7.851 0.124 1.00 1.05 C ATOM 875 CD ARG B 24 3.801 7.746 1.613 1.00 1.09 C ATOM 876 NE ARG B 24 3.769 9.057 2.260 1.00 1.29 N ATOM 877 CZ ARG B 24 4.113 9.270 3.530 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.506 8.263 4.301 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.059 10.496 4.032 1.00 2.12 N ATOM 0 H ARG B 24 5.445 5.816 -2.408 1.00 0.45 H new ATOM 0 HA ARG B 24 5.638 8.601 -1.742 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.050 6.028 -0.442 1.00 0.55 H new ATOM 0 HB3 ARG B 24 6.026 7.070 0.574 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.218 8.898 -0.149 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.231 7.479 -0.439 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.845 7.244 1.764 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.564 7.127 2.086 1.00 1.09 H new ATOM 0 HE ARG B 24 3.465 9.857 1.706 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.547 7.317 3.923 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.767 8.436 5.272 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.755 11.274 3.447 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.322 10.661 5.004 1.00 2.12 H new ATOM 893 N THR B 25 8.229 6.624 -1.192 1.00 0.52 N ATOM 894 CA THR B 25 9.663 6.616 -0.927 1.00 0.60 C ATOM 895 C THR B 25 10.417 7.461 -1.943 1.00 0.61 C ATOM 896 O THR B 25 11.189 8.348 -1.578 1.00 0.67 O ATOM 897 CB THR B 25 10.198 5.187 -0.959 1.00 0.64 C ATOM 898 OG1 THR B 25 9.166 4.256 -0.682 1.00 0.70 O ATOM 899 CG2 THR B 25 11.317 4.943 0.028 1.00 0.75 C ATOM 0 H THR B 25 7.825 5.700 -1.345 1.00 0.52 H new ATOM 0 HA THR B 25 9.819 7.043 0.064 1.00 0.60 H new ATOM 0 HB THR B 25 10.591 5.050 -1.967 1.00 0.64 H new ATOM 0 HG1 THR B 25 8.528 4.243 -1.426 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.650 3.908 -0.048 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.150 5.609 -0.195 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.959 5.136 1.039 1.00 0.75 H new ATOM 907 N ARG B 26 10.192 7.177 -3.222 1.00 0.61 N ATOM 908 CA ARG B 26 10.855 7.912 -4.294 1.00 0.68 C ATOM 909 C ARG B 26 10.674 9.412 -4.102 1.00 0.64 C ATOM 910 O ARG B 26 11.628 10.186 -4.211 1.00 0.71 O ATOM 911 CB ARG B 26 10.306 7.480 -5.656 1.00 0.72 C ATOM 912 CG ARG B 26 8.788 7.421 -5.712 1.00 0.67 C ATOM 913 CD ARG B 26 8.213 8.577 -6.515 1.00 1.10 C ATOM 914 NE ARG B 26 8.396 8.390 -7.952 1.00 1.56 N ATOM 915 CZ ARG B 26 8.319 9.376 -8.843 1.00 2.14 C ATOM 916 NH1 ARG B 26 8.059 10.617 -8.450 1.00 2.60 N ATOM 917 NH2 ARG B 26 8.501 9.120 -10.132 1.00 2.89 N ATOM 0 H ARG B 26 9.557 6.445 -3.541 1.00 0.61 H new ATOM 0 HA ARG B 26 11.920 7.685 -4.261 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.662 8.173 -6.418 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.708 6.498 -5.905 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.476 6.477 -6.158 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.385 7.444 -4.700 1.00 0.67 H new ATOM 0 HD2 ARG B 26 7.150 8.678 -6.295 1.00 1.10 H new ATOM 0 HD3 ARG B 26 8.692 9.506 -6.207 1.00 1.10 H new ATOM 0 HE ARG B 26 8.594 7.449 -8.293 1.00 1.56 H new ATOM 0 HH11 ARG B 26 7.917 10.819 -7.460 1.00 2.60 H new ATOM 0 HH12 ARG B 26 8.001 11.368 -9.138 1.00 2.60 H new ATOM 0 HH21 ARG B 26 8.700 8.168 -10.440 1.00 2.89 H new ATOM 0 HH22 ARG B 26 8.442 9.875 -10.815 1.00 2.89 H new ATOM 931 N LEU B 27 9.446 9.815 -3.799 1.00 0.57 N ATOM 932 CA LEU B 27 9.149 11.221 -3.575 1.00 0.55 C ATOM 933 C LEU B 27 9.931 11.738 -2.375 1.00 0.56 C ATOM 934 O LEU B 27 10.371 12.886 -2.360 1.00 0.61 O ATOM 935 CB LEU B 27 7.649 11.428 -3.355 1.00 0.51 C ATOM 936 CG LEU B 27 6.856 11.805 -4.609 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.403 12.080 -4.257 1.00 1.38 C ATOM 938 CD2 LEU B 27 7.478 13.016 -5.289 1.00 1.34 C ATOM 0 H LEU B 27 8.645 9.191 -3.704 1.00 0.57 H new ATOM 0 HA LEU B 27 9.448 11.781 -4.461 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.228 10.512 -2.939 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.511 12.210 -2.608 1.00 0.51 H new ATOM 0 HG LEU B 27 6.889 10.965 -5.303 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.854 12.347 -5.160 1.00 1.38 H new ATOM 0 HD12 LEU B 27 4.961 11.188 -3.814 1.00 1.38 H new ATOM 0 HD13 LEU B 27 5.351 12.903 -3.544 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.901 13.270 -6.178 1.00 1.34 H new ATOM 0 HD22 LEU B 27 7.475 13.861 -4.601 1.00 1.34 H new ATOM 0 HD23 LEU B 27 8.504 12.785 -5.575 1.00 1.34 H new ATOM 950 N VAL B 28 10.115 10.879 -1.375 1.00 0.57 N ATOM 951 CA VAL B 28 10.860 11.260 -0.182 1.00 0.63 C ATOM 952 C VAL B 28 12.315 11.528 -0.532 1.00 0.73 C ATOM 953 O VAL B 28 12.893 12.531 -0.114 1.00 0.79 O ATOM 954 CB VAL B 28 10.799 10.172 0.903 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.460 10.658 2.185 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.361 9.749 1.162 1.00 0.63 C ATOM 0 H VAL B 28 9.761 9.922 -1.368 1.00 0.57 H new ATOM 0 HA VAL B 28 10.396 12.165 0.210 1.00 0.63 H new ATOM 0 HB VAL B 28 11.348 9.301 0.546 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.407 9.875 2.941 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.504 10.901 1.987 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.943 11.547 2.547 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.342 8.979 1.933 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.783 10.611 1.495 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.927 9.354 0.243 1.00 0.63 H new ATOM 966 N GLN B 29 12.898 10.628 -1.319 1.00 0.80 N ATOM 967 CA GLN B 29 14.285 10.773 -1.745 1.00 0.92 C ATOM 968 C GLN B 29 14.506 12.161 -2.333 1.00 0.94 C ATOM 969 O GLN B 29 15.592 12.731 -2.225 1.00 1.02 O ATOM 970 CB GLN B 29 14.643 9.701 -2.776 1.00 1.05 C ATOM 971 CG GLN B 29 14.803 8.312 -2.179 1.00 1.34 C ATOM 972 CD GLN B 29 16.223 8.033 -1.723 1.00 1.63 C ATOM 973 OE1 GLN B 29 17.167 8.695 -2.154 1.00 2.33 O ATOM 974 NE2 GLN B 29 16.379 7.049 -0.845 1.00 1.99 N ATOM 0 H GLN B 29 12.432 9.793 -1.674 1.00 0.80 H new ATOM 0 HA GLN B 29 14.932 10.648 -0.877 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.867 9.671 -3.541 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.571 9.983 -3.273 1.00 1.05 H new ATOM 0 HG2 GLN B 29 14.126 8.204 -1.332 1.00 1.34 H new ATOM 0 HG3 GLN B 29 14.510 7.567 -2.918 1.00 1.34 H new ATOM 0 HE21 GLN B 29 15.567 6.527 -0.515 1.00 1.99 H new ATOM 0 HE22 GLN B 29 17.310 6.816 -0.501 1.00 1.99 H new ATOM 983 N GLN B 30 13.457 12.702 -2.945 1.00 0.93 N ATOM 984 CA GLN B 30 13.518 14.030 -3.538 1.00 1.05 C ATOM 985 C GLN B 30 13.513 15.099 -2.451 1.00 1.03 C ATOM 986 O GLN B 30 14.118 16.160 -2.607 1.00 1.16 O ATOM 987 CB GLN B 30 12.338 14.245 -4.486 1.00 1.14 C ATOM 988 CG GLN B 30 12.615 13.801 -5.913 1.00 1.56 C ATOM 989 CD GLN B 30 11.413 13.145 -6.564 1.00 1.85 C ATOM 990 OE1 GLN B 30 10.936 12.106 -6.108 1.00 2.32 O ATOM 991 NE2 GLN B 30 10.916 13.751 -7.637 1.00 2.39 N ATOM 0 H GLN B 30 12.554 12.239 -3.042 1.00 0.93 H new ATOM 0 HA GLN B 30 14.445 14.110 -4.106 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.474 13.700 -4.106 1.00 1.14 H new ATOM 0 HB3 GLN B 30 12.073 15.302 -4.488 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.918 14.664 -6.506 1.00 1.56 H new ATOM 0 HG3 GLN B 30 13.452 13.102 -5.916 1.00 1.56 H new ATOM 0 HE21 GLN B 30 11.343 14.611 -7.981 1.00 2.39 H new ATOM 0 HE22 GLN B 30 10.107 13.356 -8.117 1.00 2.39 H new ATOM 1000 N HIS B 31 12.828 14.811 -1.345 1.00 0.92 N ATOM 1001 CA HIS B 31 12.752 15.751 -0.231 1.00 1.01 C ATOM 1002 C HIS B 31 12.788 15.018 1.110 1.00 1.11 C ATOM 1003 O HIS B 31 11.821 15.048 1.871 1.00 1.33 O ATOM 1004 CB HIS B 31 11.487 16.608 -0.331 1.00 1.26 C ATOM 1005 CG HIS B 31 10.217 15.834 -0.169 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.725 14.991 -1.138 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.332 15.782 0.856 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.592 14.457 -0.721 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.332 14.918 0.488 1.00 3.18 N ATOM 0 H HIS B 31 12.321 13.938 -1.198 1.00 0.92 H new ATOM 0 HA HIS B 31 13.622 16.405 -0.287 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.526 17.387 0.431 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.475 17.109 -1.299 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.167 14.807 -2.039 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.401 16.321 1.789 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.981 13.760 -1.276 1.00 2.71 H new ATOM 1018 N PRO B 32 13.911 14.346 1.416 1.00 1.38 N ATOM 1019 CA PRO B 32 14.069 13.603 2.669 1.00 1.79 C ATOM 1020 C PRO B 32 14.324 14.520 3.859 1.00 1.86 C ATOM 1021 O PRO B 32 13.819 14.285 4.957 1.00 2.31 O ATOM 1022 CB PRO B 32 15.289 12.725 2.399 1.00 2.24 C ATOM 1023 CG PRO B 32 16.099 13.500 1.419 1.00 2.17 C ATOM 1024 CD PRO B 32 15.114 14.256 0.565 1.00 1.64 C ATOM 0 HA PRO B 32 13.171 13.044 2.932 1.00 1.79 H new ATOM 0 HB2 PRO B 32 15.850 12.533 3.314 1.00 2.24 H new ATOM 0 HB3 PRO B 32 14.998 11.756 1.995 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.777 14.184 1.929 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.713 12.836 0.810 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.491 15.243 0.298 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.907 13.731 -0.367 1.00 1.64 H new ATOM 1032 N ARG B 33 15.111 15.565 3.633 1.00 2.06 N ATOM 1033 CA ARG B 33 15.437 16.521 4.686 1.00 2.26 C ATOM 1034 C ARG B 33 15.271 17.953 4.189 1.00 3.01 C ATOM 1035 O ARG B 33 14.656 18.139 3.118 1.00 3.62 O ATOM 1036 CB ARG B 33 16.868 16.301 5.179 1.00 2.19 C ATOM 1037 CG ARG B 33 17.219 14.838 5.401 1.00 2.87 C ATOM 1038 CD ARG B 33 18.061 14.284 4.263 1.00 3.48 C ATOM 1039 NE ARG B 33 19.422 13.967 4.692 1.00 4.18 N ATOM 1040 CZ ARG B 33 19.754 12.862 5.353 1.00 4.96 C ATOM 1041 NH1 ARG B 33 18.827 11.964 5.668 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.016 12.652 5.703 1.00 5.81 N ATOM 0 H ARG B 33 15.536 15.773 2.729 1.00 2.06 H new ATOM 0 HA ARG B 33 14.747 16.361 5.515 1.00 2.26 H new ATOM 0 HB2 ARG B 33 17.562 16.726 4.454 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.009 16.845 6.113 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.762 14.732 6.340 1.00 2.87 H new ATOM 0 HG3 ARG B 33 16.303 14.254 5.494 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.588 13.386 3.866 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.097 15.011 3.452 1.00 3.48 H new ATOM 0 HE ARG B 33 20.162 14.634 4.471 1.00 4.18 H new ATOM 0 HH11 ARG B 33 17.855 12.120 5.403 1.00 5.21 H new ATOM 0 HH12 ARG B 33 19.088 11.118 6.175 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.732 13.338 5.465 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.270 11.804 6.210 1.00 5.81 H new TER 1056 ARG B 33