USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=10 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+ -128:sc= 0.0347 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.75) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=-0.54) 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= -0.714 USER MOD Single : A 29 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.6) USER MOD Single : A 30 GLN : amide:sc= -0.922 K(o=-0.92,f=-2.5!) USER MOD Single : A 31 HIS : no HE2:sc= -7.91! C(o=-7.9!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 151:sc= 0.123 (180deg=0.0297) USER MOD Single : B 1 CYS SG : rot 180:sc= 0.0966 USER MOD Single : B 5 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.1) USER MOD Single : B 8 GLN : amide:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0134) USER MOD Single : B 15 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.4) USER MOD Single : B 21 GLN : amide:sc=-8.97e-05 X(o=-9e-05,f=0) USER MOD Single : B 23 LYS NZ :NH3+ -157:sc= -0.285 (180deg=-1.13) USER MOD Single : B 25 THR OG1 : rot 73:sc= -0.329 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.819 19.410 7.310 1.00 4.71 N ATOM 2 CA CYS A 1 10.921 19.561 5.834 1.00 4.20 C ATOM 3 C CYS A 1 9.575 19.311 5.161 1.00 3.72 C ATOM 4 O CYS A 1 8.639 18.816 5.788 1.00 4.32 O ATOM 5 CB CYS A 1 11.964 18.570 5.314 1.00 4.04 C ATOM 6 SG CYS A 1 12.878 19.152 3.867 1.00 4.94 S ATOM 0 H1 CYS A 1 11.210 20.255 7.773 1.00 4.71 H new ATOM 0 H2 CYS A 1 9.821 19.298 7.579 1.00 4.71 H new ATOM 0 H3 CYS A 1 11.355 18.571 7.611 1.00 4.71 H new ATOM 0 HA CYS A 1 11.222 20.582 5.598 1.00 4.20 H new ATOM 0 HB2 CYS A 1 12.672 18.351 6.114 1.00 4.04 H new ATOM 0 HB3 CYS A 1 11.466 17.633 5.063 1.00 4.04 H new ATOM 0 HG CYS A 1 13.737 18.247 3.503 1.00 4.94 H new ATOM 12 N GLY A 2 9.487 19.657 3.881 1.00 3.04 N ATOM 13 CA GLY A 2 8.253 19.463 3.144 1.00 2.89 C ATOM 14 C GLY A 2 7.325 20.658 3.242 1.00 2.25 C ATOM 15 O GLY A 2 7.761 21.802 3.110 1.00 2.72 O ATOM 0 H GLY A 2 10.248 20.068 3.341 1.00 3.04 H new ATOM 0 HA2 GLY A 2 8.485 19.272 2.096 1.00 2.89 H new ATOM 0 HA3 GLY A 2 7.742 18.578 3.523 1.00 2.89 H new ATOM 19 N GLY A 3 6.039 20.394 3.467 1.00 1.84 N ATOM 20 CA GLY A 3 5.069 21.469 3.572 1.00 1.56 C ATOM 21 C GLY A 3 5.123 22.402 2.381 1.00 1.41 C ATOM 22 O GLY A 3 4.895 23.604 2.513 1.00 1.64 O ATOM 0 H GLY A 3 5.654 19.456 3.578 1.00 1.84 H new ATOM 0 HA2 GLY A 3 4.068 21.047 3.656 1.00 1.56 H new ATOM 0 HA3 GLY A 3 5.254 22.036 4.485 1.00 1.56 H new ATOM 26 N ASP A 4 5.438 21.845 1.216 1.00 1.16 N ATOM 27 CA ASP A 4 5.535 22.632 -0.004 1.00 1.32 C ATOM 28 C ASP A 4 4.572 22.117 -1.070 1.00 1.31 C ATOM 29 O ASP A 4 3.461 22.627 -1.221 1.00 1.72 O ATOM 30 CB ASP A 4 6.972 22.598 -0.531 1.00 1.55 C ATOM 31 CG ASP A 4 7.921 23.416 0.322 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.441 24.292 1.072 1.00 2.71 O ATOM 33 OD2 ASP A 4 9.145 23.181 0.241 1.00 2.50 O ATOM 0 H ASP A 4 5.630 20.851 1.093 1.00 1.16 H new ATOM 0 HA ASP A 4 5.260 23.661 0.229 1.00 1.32 H new ATOM 0 HB2 ASP A 4 7.319 21.565 -0.566 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.990 22.975 -1.553 1.00 1.55 H new ATOM 38 N ASN A 5 5.009 21.099 -1.800 1.00 1.09 N ATOM 39 CA ASN A 5 4.202 20.495 -2.852 1.00 1.25 C ATOM 40 C ASN A 5 4.500 19.005 -2.930 1.00 1.13 C ATOM 41 O ASN A 5 3.591 18.178 -3.001 1.00 1.48 O ATOM 42 CB ASN A 5 4.488 21.164 -4.199 1.00 1.53 C ATOM 43 CG ASN A 5 3.220 21.556 -4.931 1.00 2.03 C ATOM 44 OD1 ASN A 5 2.973 21.112 -6.052 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.406 22.394 -4.297 1.00 2.27 N ATOM 0 H ASN A 5 5.927 20.671 -1.681 1.00 1.09 H new ATOM 0 HA ASN A 5 3.147 20.639 -2.617 1.00 1.25 H new ATOM 0 HB2 ASN A 5 5.100 22.051 -4.038 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.069 20.485 -4.823 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.537 22.694 -4.739 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.650 22.737 -3.368 1.00 2.27 H new ATOM 52 N ILE A 6 5.786 18.675 -2.890 1.00 0.80 N ATOM 53 CA ILE A 6 6.220 17.286 -2.929 1.00 0.71 C ATOM 54 C ILE A 6 5.727 16.562 -1.688 1.00 0.63 C ATOM 55 O ILE A 6 5.104 15.503 -1.769 1.00 0.60 O ATOM 56 CB ILE A 6 7.756 17.162 -2.987 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.369 18.282 -3.838 1.00 1.10 C ATOM 58 CG2 ILE A 6 8.145 15.798 -3.528 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.827 18.061 -4.186 1.00 1.80 C ATOM 0 H ILE A 6 6.546 19.352 -2.831 1.00 0.80 H new ATOM 0 HA ILE A 6 5.802 16.841 -3.832 1.00 0.71 H new ATOM 0 HB ILE A 6 8.150 17.264 -1.976 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.796 18.379 -4.760 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.273 19.226 -3.302 1.00 1.10 H new ATOM 0 HG21 ILE A 6 9.231 15.718 -3.566 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.746 15.021 -2.876 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.737 15.675 -4.531 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.188 18.895 -4.788 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.414 17.995 -3.270 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.930 17.134 -4.751 1.00 1.80 H new ATOM 71 N GLU A 7 6.016 17.157 -0.538 1.00 0.66 N ATOM 72 CA GLU A 7 5.613 16.595 0.747 1.00 0.63 C ATOM 73 C GLU A 7 4.112 16.326 0.784 1.00 0.59 C ATOM 74 O GLU A 7 3.661 15.358 1.397 1.00 0.56 O ATOM 75 CB GLU A 7 5.999 17.547 1.884 1.00 0.76 C ATOM 76 CG GLU A 7 5.638 17.019 3.265 1.00 0.78 C ATOM 77 CD GLU A 7 6.157 15.616 3.509 1.00 1.41 C ATOM 78 OE1 GLU A 7 7.301 15.326 3.097 1.00 1.96 O ATOM 79 OE2 GLU A 7 5.422 14.807 4.113 1.00 2.15 O ATOM 0 H GLU A 7 6.531 18.034 -0.468 1.00 0.66 H new ATOM 0 HA GLU A 7 6.134 15.647 0.878 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.072 17.733 1.844 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.504 18.506 1.729 1.00 0.76 H new ATOM 0 HG2 GLU A 7 6.044 17.689 4.023 1.00 0.78 H new ATOM 0 HG3 GLU A 7 4.554 17.026 3.380 1.00 0.78 H new ATOM 86 N GLN A 8 3.343 17.185 0.125 1.00 0.64 N ATOM 87 CA GLN A 8 1.894 17.035 0.085 1.00 0.64 C ATOM 88 C GLN A 8 1.493 15.924 -0.879 1.00 0.58 C ATOM 89 O GLN A 8 0.542 15.183 -0.631 1.00 0.60 O ATOM 90 CB GLN A 8 1.235 18.351 -0.333 1.00 0.74 C ATOM 91 CG GLN A 8 -0.234 18.442 0.042 1.00 1.08 C ATOM 92 CD GLN A 8 -0.455 18.438 1.543 1.00 1.55 C ATOM 93 OE1 GLN A 8 0.371 18.941 2.305 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.573 17.868 1.975 1.00 2.21 N ATOM 0 H GLN A 8 3.699 17.992 -0.388 1.00 0.64 H new ATOM 0 HA GLN A 8 1.552 16.768 1.085 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.771 19.179 0.130 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.334 18.470 -1.412 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.657 19.353 -0.381 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.771 17.604 -0.403 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -2.230 17.463 1.308 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.775 17.835 2.974 1.00 2.21 H new ATOM 103 N LYS A 9 2.228 15.815 -1.980 1.00 0.56 N ATOM 104 CA LYS A 9 1.955 14.796 -2.985 1.00 0.54 C ATOM 105 C LYS A 9 2.010 13.400 -2.376 1.00 0.47 C ATOM 106 O LYS A 9 1.142 12.563 -2.634 1.00 0.52 O ATOM 107 CB LYS A 9 2.955 14.904 -4.138 1.00 0.59 C ATOM 108 CG LYS A 9 2.335 14.667 -5.506 1.00 0.86 C ATOM 109 CD LYS A 9 3.395 14.612 -6.596 1.00 1.16 C ATOM 110 CE LYS A 9 3.726 13.178 -6.978 1.00 1.65 C ATOM 111 NZ LYS A 9 4.245 13.081 -8.370 1.00 2.42 N ATOM 0 H LYS A 9 3.019 16.421 -2.199 1.00 0.56 H new ATOM 0 HA LYS A 9 0.949 14.963 -3.370 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.410 15.894 -4.121 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.756 14.182 -3.982 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.774 13.733 -5.495 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.625 15.463 -5.728 1.00 0.86 H new ATOM 0 HD2 LYS A 9 3.043 15.152 -7.475 1.00 1.16 H new ATOM 0 HD3 LYS A 9 4.298 15.116 -6.253 1.00 1.16 H new ATOM 0 HE2 LYS A 9 4.467 12.779 -6.285 1.00 1.65 H new ATOM 0 HE3 LYS A 9 2.833 12.561 -6.879 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 4.459 12.088 -8.592 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 3.528 13.438 -9.033 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 5.111 13.650 -8.458 1.00 2.42 H new ATOM 125 N ILE A 10 3.032 13.153 -1.568 1.00 0.42 N ATOM 126 CA ILE A 10 3.188 11.853 -0.931 1.00 0.38 C ATOM 127 C ILE A 10 2.093 11.607 0.096 1.00 0.38 C ATOM 128 O ILE A 10 1.544 10.511 0.166 1.00 0.38 O ATOM 129 CB ILE A 10 4.552 11.694 -0.241 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.889 12.920 0.607 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.641 11.440 -1.271 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.067 12.702 1.531 1.00 0.95 C ATOM 0 H ILE A 10 3.760 13.830 -1.339 1.00 0.42 H new ATOM 0 HA ILE A 10 3.117 11.119 -1.734 1.00 0.38 H new ATOM 0 HB ILE A 10 4.495 10.833 0.425 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.104 13.761 -0.052 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.017 13.194 1.200 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.601 11.330 -0.766 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.414 10.528 -1.823 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.690 12.280 -1.964 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.253 13.610 2.104 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.847 11.881 2.214 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.951 12.457 0.942 1.00 0.95 H new ATOM 144 N ASP A 11 1.771 12.628 0.888 1.00 0.41 N ATOM 145 CA ASP A 11 0.729 12.501 1.903 1.00 0.46 C ATOM 146 C ASP A 11 -0.503 11.835 1.306 1.00 0.46 C ATOM 147 O ASP A 11 -1.185 11.039 1.958 1.00 0.50 O ATOM 148 CB ASP A 11 0.362 13.874 2.469 1.00 0.54 C ATOM 149 CG ASP A 11 -0.084 13.804 3.916 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.753 12.815 4.284 1.00 1.48 O ATOM 151 OD2 ASP A 11 0.236 14.737 4.682 1.00 1.32 O ATOM 0 H ASP A 11 2.214 13.546 0.847 1.00 0.41 H new ATOM 0 HA ASP A 11 1.109 11.881 2.715 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.222 14.538 2.389 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.435 14.311 1.867 1.00 0.54 H new ATOM 156 N ASP A 12 -0.761 12.148 0.042 1.00 0.46 N ATOM 157 CA ASP A 12 -1.889 11.570 -0.669 1.00 0.51 C ATOM 158 C ASP A 12 -1.646 10.085 -0.884 1.00 0.48 C ATOM 159 O ASP A 12 -2.511 9.252 -0.610 1.00 0.52 O ATOM 160 CB ASP A 12 -2.094 12.272 -2.013 1.00 0.56 C ATOM 161 CG ASP A 12 -3.559 12.416 -2.373 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.197 11.388 -2.682 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.070 13.555 -2.345 1.00 1.28 O ATOM 0 H ASP A 12 -0.203 12.799 -0.510 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.791 11.705 -0.072 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.633 13.259 -1.978 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.584 11.709 -2.795 1.00 0.56 H new ATOM 168 N ILE A 13 -0.449 9.761 -1.361 1.00 0.43 N ATOM 169 CA ILE A 13 -0.076 8.376 -1.598 1.00 0.44 C ATOM 170 C ILE A 13 -0.134 7.577 -0.300 1.00 0.44 C ATOM 171 O ILE A 13 -0.719 6.501 -0.254 1.00 0.47 O ATOM 172 CB ILE A 13 1.340 8.264 -2.198 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.475 9.176 -3.420 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.649 6.820 -2.567 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.829 9.095 -4.090 1.00 0.47 C ATOM 0 H ILE A 13 0.277 10.440 -1.590 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.790 7.968 -2.313 1.00 0.44 H new ATOM 0 HB ILE A 13 2.062 8.587 -1.448 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.704 8.915 -4.145 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.290 10.206 -3.116 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.652 6.759 -2.989 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.592 6.196 -1.675 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.924 6.469 -3.302 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.852 9.768 -4.947 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.604 9.385 -3.381 1.00 0.47 H new ATOM 0 HD13 ILE A 13 3.008 8.074 -4.425 1.00 0.47 H new ATOM 187 N ASP A 14 0.470 8.120 0.754 1.00 0.43 N ATOM 188 CA ASP A 14 0.485 7.466 2.059 1.00 0.47 C ATOM 189 C ASP A 14 -0.909 6.991 2.453 1.00 0.51 C ATOM 190 O ASP A 14 -1.063 5.963 3.113 1.00 0.55 O ATOM 191 CB ASP A 14 1.028 8.421 3.125 1.00 0.49 C ATOM 192 CG ASP A 14 1.994 7.740 4.075 1.00 0.61 C ATOM 193 OD1 ASP A 14 1.970 6.494 4.153 1.00 1.29 O ATOM 194 OD2 ASP A 14 2.774 8.453 4.740 1.00 1.26 O ATOM 0 H ASP A 14 0.958 9.016 0.729 1.00 0.43 H new ATOM 0 HA ASP A 14 1.137 6.596 1.989 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.530 9.257 2.638 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.196 8.837 3.694 1.00 0.49 H new ATOM 199 N HIS A 15 -1.923 7.741 2.038 1.00 0.51 N ATOM 200 CA HIS A 15 -3.301 7.389 2.343 1.00 0.56 C ATOM 201 C HIS A 15 -3.759 6.230 1.467 1.00 0.57 C ATOM 202 O HIS A 15 -4.621 5.441 1.857 1.00 0.62 O ATOM 203 CB HIS A 15 -4.216 8.595 2.129 1.00 0.59 C ATOM 204 CG HIS A 15 -5.497 8.519 2.899 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.855 7.426 3.661 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.511 9.409 3.023 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.032 7.648 4.220 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.450 8.843 3.849 1.00 1.11 N ATOM 0 H HIS A 15 -1.815 8.595 1.490 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.355 7.084 3.388 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.682 9.501 2.416 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.445 8.683 1.067 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.570 10.382 2.559 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.561 6.967 4.870 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.329 9.277 4.131 1.00 1.11 H new ATOM 217 N GLU A 16 -3.174 6.135 0.280 1.00 0.54 N ATOM 218 CA GLU A 16 -3.518 5.078 -0.657 1.00 0.57 C ATOM 219 C GLU A 16 -2.726 3.808 -0.361 1.00 0.57 C ATOM 220 O GLU A 16 -3.227 2.699 -0.532 1.00 0.63 O ATOM 221 CB GLU A 16 -3.256 5.536 -2.093 1.00 0.56 C ATOM 222 CG GLU A 16 -3.717 6.958 -2.370 1.00 0.57 C ATOM 223 CD GLU A 16 -5.187 7.035 -2.731 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.511 6.917 -3.931 1.00 1.99 O ATOM 225 OE2 GLU A 16 -6.016 7.213 -1.812 1.00 2.07 O ATOM 0 H GLU A 16 -2.458 6.779 -0.055 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.579 4.856 -0.542 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.189 5.462 -2.301 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.762 4.858 -2.780 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.530 7.574 -1.491 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.125 7.376 -3.184 1.00 0.57 H new ATOM 232 N ILE A 17 -1.489 3.985 0.090 1.00 0.54 N ATOM 233 CA ILE A 17 -0.622 2.861 0.415 1.00 0.57 C ATOM 234 C ILE A 17 -1.196 2.054 1.574 1.00 0.59 C ATOM 235 O ILE A 17 -1.050 0.833 1.632 1.00 0.62 O ATOM 236 CB ILE A 17 0.794 3.337 0.796 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.332 4.308 -0.256 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.730 2.148 0.953 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.340 5.296 0.290 1.00 0.94 C ATOM 0 H ILE A 17 -1.064 4.900 0.239 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.561 2.235 -0.475 1.00 0.57 H new ATOM 0 HB ILE A 17 0.738 3.860 1.751 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.794 3.738 -1.062 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.497 4.857 -0.692 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.725 2.502 1.222 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.354 1.490 1.737 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.782 1.599 0.013 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.678 5.952 -0.512 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.876 5.892 1.076 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.193 4.756 0.700 1.00 0.94 H new ATOM 251 N ALA A 18 -1.849 2.754 2.495 1.00 0.58 N ATOM 252 CA ALA A 18 -2.448 2.121 3.662 1.00 0.61 C ATOM 253 C ALA A 18 -3.781 1.468 3.314 1.00 0.62 C ATOM 254 O ALA A 18 -4.118 0.407 3.838 1.00 0.66 O ATOM 255 CB ALA A 18 -2.633 3.142 4.774 1.00 0.65 C ATOM 0 H ALA A 18 -1.977 3.765 2.454 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.772 1.338 4.007 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.082 2.658 5.642 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.664 3.558 5.051 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.286 3.943 4.428 1.00 0.65 H new ATOM 261 N ASP A 19 -4.537 2.107 2.425 1.00 0.61 N ATOM 262 CA ASP A 19 -5.832 1.582 2.010 1.00 0.64 C ATOM 263 C ASP A 19 -5.697 0.155 1.488 1.00 0.61 C ATOM 264 O ASP A 19 -6.451 -0.736 1.881 1.00 0.66 O ATOM 265 CB ASP A 19 -6.446 2.476 0.930 1.00 0.66 C ATOM 266 CG ASP A 19 -7.306 3.579 1.514 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.168 3.274 2.365 1.00 1.79 O ATOM 268 OD2 ASP A 19 -7.120 4.749 1.119 1.00 1.64 O ATOM 0 H ASP A 19 -4.275 2.987 1.980 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.488 1.572 2.880 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.649 2.918 0.332 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -7.049 1.866 0.257 1.00 0.66 H new ATOM 273 N LEU A 20 -4.726 -0.055 0.606 1.00 0.56 N ATOM 274 CA LEU A 20 -4.488 -1.375 0.033 1.00 0.54 C ATOM 275 C LEU A 20 -4.071 -2.367 1.110 1.00 0.52 C ATOM 276 O LEU A 20 -4.667 -3.435 1.249 1.00 0.50 O ATOM 277 CB LEU A 20 -3.415 -1.301 -1.053 1.00 0.58 C ATOM 278 CG LEU A 20 -3.527 -0.111 -2.007 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.623 -0.312 -3.212 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.969 0.094 -2.449 1.00 0.62 C ATOM 0 H LEU A 20 -4.092 0.671 0.273 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.420 -1.721 -0.414 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.437 -1.268 -0.572 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.452 -2.219 -1.639 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.204 0.785 -1.476 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.714 0.543 -3.882 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.589 -0.404 -2.880 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.917 -1.219 -3.740 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.024 0.946 -3.127 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.323 -0.801 -2.961 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.594 0.284 -1.576 1.00 0.62 H new ATOM 292 N GLN A 21 -3.040 -2.010 1.872 1.00 0.54 N ATOM 293 CA GLN A 21 -2.539 -2.872 2.939 1.00 0.55 C ATOM 294 C GLN A 21 -3.680 -3.385 3.812 1.00 0.53 C ATOM 295 O GLN A 21 -3.606 -4.481 4.368 1.00 0.53 O ATOM 296 CB GLN A 21 -1.526 -2.113 3.800 1.00 0.60 C ATOM 297 CG GLN A 21 -0.527 -3.017 4.503 1.00 0.87 C ATOM 298 CD GLN A 21 0.298 -2.277 5.538 1.00 1.25 C ATOM 299 OE1 GLN A 21 1.130 -1.435 5.201 1.00 1.99 O ATOM 300 NE2 GLN A 21 0.072 -2.591 6.809 1.00 1.74 N ATOM 0 H GLN A 21 -2.535 -1.130 1.770 1.00 0.54 H new ATOM 0 HA GLN A 21 -2.048 -3.729 2.477 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.984 -1.407 3.171 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.063 -1.528 4.547 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -1.060 -3.836 4.986 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.138 -3.462 3.763 1.00 0.87 H new ATOM 0 HE21 GLN A 21 -0.627 -3.295 7.044 1.00 1.74 H new ATOM 0 HE22 GLN A 21 0.598 -2.128 7.550 1.00 1.74 H new ATOM 309 N ALA A 22 -4.736 -2.587 3.924 1.00 0.55 N ATOM 310 CA ALA A 22 -5.894 -2.960 4.725 1.00 0.57 C ATOM 311 C ALA A 22 -6.716 -4.038 4.028 1.00 0.55 C ATOM 312 O ALA A 22 -7.273 -4.925 4.676 1.00 0.65 O ATOM 313 CB ALA A 22 -6.756 -1.738 5.008 1.00 0.65 C ATOM 0 H ALA A 22 -4.813 -1.677 3.469 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.536 -3.365 5.671 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.618 -2.032 5.607 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.170 -0.998 5.553 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -7.098 -1.308 4.067 1.00 0.65 H new ATOM 319 N LYS A 23 -6.787 -3.958 2.704 1.00 0.53 N ATOM 320 CA LYS A 23 -7.543 -4.928 1.918 1.00 0.55 C ATOM 321 C LYS A 23 -6.879 -6.301 1.960 1.00 0.50 C ATOM 322 O LYS A 23 -7.553 -7.329 1.892 1.00 0.57 O ATOM 323 CB LYS A 23 -7.672 -4.461 0.465 1.00 0.61 C ATOM 324 CG LYS A 23 -7.947 -2.971 0.317 1.00 0.70 C ATOM 325 CD LYS A 23 -9.109 -2.524 1.190 1.00 0.79 C ATOM 326 CE LYS A 23 -9.431 -1.054 0.976 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.404 -0.546 1.983 1.00 1.53 N ATOM 0 H LYS A 23 -6.331 -3.232 2.152 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.538 -5.008 2.356 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.753 -4.705 -0.068 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -8.476 -5.018 -0.015 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -7.053 -2.408 0.585 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.167 -2.743 -0.726 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -9.988 -3.127 0.964 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.865 -2.696 2.238 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.513 -0.469 1.031 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -9.838 -0.914 -0.025 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.597 0.460 1.802 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -11.290 -1.087 1.913 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -10.005 -0.656 2.937 1.00 1.53 H new ATOM 341 N ARG A 24 -5.554 -6.313 2.063 1.00 0.46 N ATOM 342 CA ARG A 24 -4.803 -7.564 2.106 1.00 0.50 C ATOM 343 C ARG A 24 -4.985 -8.272 3.447 1.00 0.52 C ATOM 344 O ARG A 24 -5.169 -9.488 3.495 1.00 0.60 O ATOM 345 CB ARG A 24 -3.318 -7.297 1.854 1.00 0.61 C ATOM 346 CG ARG A 24 -2.460 -8.553 1.881 1.00 1.15 C ATOM 347 CD ARG A 24 -1.403 -8.532 0.787 1.00 1.41 C ATOM 348 NE ARG A 24 -1.271 -9.830 0.130 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.598 -10.856 0.644 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.005 -10.741 1.821 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.528 -12.001 -0.019 1.00 2.74 N ATOM 0 H ARG A 24 -4.978 -5.473 2.118 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.190 -8.215 1.322 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.204 -6.810 0.885 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.950 -6.600 2.606 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -1.976 -8.643 2.854 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.095 -9.431 1.758 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.662 -7.775 0.047 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.443 -8.243 1.215 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.721 -9.957 -0.776 1.00 1.70 H new ATOM 0 HH11 ARG A 24 -0.046 -9.862 2.337 1.00 2.89 H new ATOM 0 HH12 ARG A 24 0.519 -11.531 2.210 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.990 -12.096 -0.923 1.00 2.74 H new ATOM 0 HH22 ARG A 24 -0.012 -12.788 0.375 1.00 2.74 H new ATOM 365 N THR A 25 -4.926 -7.507 4.531 1.00 0.53 N ATOM 366 CA THR A 25 -5.077 -8.064 5.871 1.00 0.60 C ATOM 367 C THR A 25 -6.467 -8.657 6.072 1.00 0.59 C ATOM 368 O THR A 25 -6.606 -9.827 6.431 1.00 0.67 O ATOM 369 CB THR A 25 -4.825 -6.988 6.925 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.083 -5.912 6.379 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.074 -7.499 8.135 1.00 0.81 C ATOM 0 H THR A 25 -4.775 -6.499 4.509 1.00 0.53 H new ATOM 0 HA THR A 25 -4.342 -8.861 5.981 1.00 0.60 H new ATOM 0 HB THR A 25 -5.815 -6.661 7.244 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.934 -5.233 7.070 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.929 -6.684 8.844 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.648 -8.295 8.610 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.104 -7.887 7.824 1.00 0.81 H new ATOM 379 N ARG A 26 -7.495 -7.844 5.844 1.00 0.56 N ATOM 380 CA ARG A 26 -8.874 -8.292 6.004 1.00 0.61 C ATOM 381 C ARG A 26 -9.093 -9.617 5.288 1.00 0.58 C ATOM 382 O ARG A 26 -9.715 -10.534 5.825 1.00 0.65 O ATOM 383 CB ARG A 26 -9.843 -7.237 5.467 1.00 0.64 C ATOM 384 CG ARG A 26 -9.716 -6.995 3.973 1.00 0.59 C ATOM 385 CD ARG A 26 -10.577 -5.827 3.522 1.00 1.02 C ATOM 386 NE ARG A 26 -11.986 -6.023 3.859 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.967 -5.232 3.430 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.698 -4.195 2.648 1.00 2.38 N ATOM 389 NH2 ARG A 26 -14.220 -5.482 3.784 1.00 2.54 N ATOM 0 H ARG A 26 -7.399 -6.873 5.548 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.066 -8.436 7.067 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.864 -7.547 5.690 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.672 -6.298 5.994 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.674 -6.798 3.723 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -10.009 -7.895 3.432 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.217 -4.910 3.988 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.477 -5.697 2.444 1.00 1.02 H new ATOM 0 HE ARG A 26 -12.232 -6.812 4.458 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -11.735 -4.000 2.372 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.454 -3.592 2.322 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -14.431 -6.279 4.384 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -14.973 -4.877 3.456 1.00 2.54 H new ATOM 403 N LEU A 27 -8.560 -9.713 4.077 1.00 0.51 N ATOM 404 CA LEU A 27 -8.683 -10.932 3.293 1.00 0.51 C ATOM 405 C LEU A 27 -7.978 -12.084 4.002 1.00 0.53 C ATOM 406 O LEU A 27 -8.466 -13.215 4.007 1.00 0.59 O ATOM 407 CB LEU A 27 -8.096 -10.735 1.893 1.00 0.47 C ATOM 408 CG LEU A 27 -9.124 -10.453 0.796 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.381 -8.960 0.674 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.653 -11.025 -0.533 1.00 1.35 C ATOM 0 H LEU A 27 -8.041 -8.964 3.619 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.741 -11.173 3.191 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.386 -9.909 1.926 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.533 -11.628 1.622 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.061 -10.939 1.069 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.115 -8.780 -0.112 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -9.762 -8.578 1.621 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.451 -8.450 0.425 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.396 -10.816 -1.303 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.704 -10.567 -0.810 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.522 -12.103 -0.439 1.00 1.35 H new ATOM 422 N VAL A 28 -6.835 -11.785 4.615 1.00 0.54 N ATOM 423 CA VAL A 28 -6.080 -12.799 5.338 1.00 0.62 C ATOM 424 C VAL A 28 -6.915 -13.364 6.476 1.00 0.72 C ATOM 425 O VAL A 28 -6.972 -14.577 6.676 1.00 0.79 O ATOM 426 CB VAL A 28 -4.768 -12.234 5.910 1.00 0.65 C ATOM 427 CG1 VAL A 28 -3.950 -13.334 6.572 1.00 0.77 C ATOM 428 CG2 VAL A 28 -3.962 -11.541 4.820 1.00 0.62 C ATOM 0 H VAL A 28 -6.416 -10.855 4.625 1.00 0.54 H new ATOM 0 HA VAL A 28 -5.835 -13.588 4.627 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.018 -11.494 6.671 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.027 -12.912 6.969 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.526 -13.777 7.385 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -3.711 -14.102 5.837 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.038 -11.148 5.245 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.724 -12.256 4.033 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.546 -10.721 4.401 1.00 0.62 H new ATOM 438 N GLN A 29 -7.577 -12.475 7.207 1.00 0.76 N ATOM 439 CA GLN A 29 -8.430 -12.884 8.315 1.00 0.87 C ATOM 440 C GLN A 29 -9.418 -13.940 7.839 1.00 0.87 C ATOM 441 O GLN A 29 -9.774 -14.857 8.578 1.00 0.97 O ATOM 442 CB GLN A 29 -9.181 -11.679 8.888 1.00 0.95 C ATOM 443 CG GLN A 29 -8.483 -11.039 10.077 1.00 1.50 C ATOM 444 CD GLN A 29 -7.376 -10.089 9.662 1.00 1.68 C ATOM 445 OE1 GLN A 29 -6.195 -10.425 9.734 1.00 2.23 O ATOM 446 NE2 GLN A 29 -7.757 -8.894 9.223 1.00 2.15 N ATOM 0 H GLN A 29 -7.539 -11.468 7.052 1.00 0.76 H new ATOM 0 HA GLN A 29 -7.806 -13.306 9.103 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.305 -10.932 8.104 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.180 -11.993 9.189 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.216 -10.498 10.675 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.067 -11.820 10.713 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -8.749 -8.659 9.180 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -7.058 -8.212 8.929 1.00 2.15 H new ATOM 455 N GLN A 30 -9.840 -13.806 6.585 1.00 0.83 N ATOM 456 CA GLN A 30 -10.769 -14.754 5.988 1.00 0.93 C ATOM 457 C GLN A 30 -10.097 -16.111 5.815 1.00 0.96 C ATOM 458 O GLN A 30 -10.751 -17.152 5.894 1.00 1.09 O ATOM 459 CB GLN A 30 -11.266 -14.238 4.636 1.00 0.98 C ATOM 460 CG GLN A 30 -11.808 -12.818 4.688 1.00 1.46 C ATOM 461 CD GLN A 30 -12.363 -12.357 3.356 1.00 1.70 C ATOM 462 OE1 GLN A 30 -11.998 -11.295 2.852 1.00 2.18 O ATOM 463 NE2 GLN A 30 -13.252 -13.156 2.776 1.00 2.29 N ATOM 0 H GLN A 30 -9.552 -13.049 5.964 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.625 -14.865 6.654 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -10.447 -14.279 3.918 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -12.047 -14.903 4.268 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.591 -12.760 5.444 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -11.013 -12.141 5.000 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -13.526 -14.028 3.229 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -13.660 -12.898 1.878 1.00 2.29 H new ATOM 472 N HIS A 31 -8.784 -16.096 5.588 1.00 0.87 N ATOM 473 CA HIS A 31 -8.030 -17.335 5.418 1.00 0.98 C ATOM 474 C HIS A 31 -6.676 -17.252 6.121 1.00 1.03 C ATOM 475 O HIS A 31 -5.650 -16.997 5.490 1.00 1.06 O ATOM 476 CB HIS A 31 -7.837 -17.655 3.933 1.00 0.99 C ATOM 477 CG HIS A 31 -6.999 -16.655 3.202 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.300 -15.314 3.162 1.00 1.72 N ATOM 479 CD2 HIS A 31 -5.864 -16.804 2.479 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.391 -14.682 2.444 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.505 -15.563 2.021 1.00 2.47 N ATOM 0 H HIS A 31 -8.225 -15.246 5.518 1.00 0.87 H new ATOM 0 HA HIS A 31 -8.606 -18.140 5.874 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.376 -18.638 3.840 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -8.814 -17.715 3.454 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.101 -14.876 3.617 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.339 -17.730 2.297 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.375 -13.622 2.237 1.00 2.19 H new ATOM 490 N PRO A 32 -6.654 -17.472 7.447 1.00 1.13 N ATOM 491 CA PRO A 32 -5.419 -17.422 8.235 1.00 1.29 C ATOM 492 C PRO A 32 -4.482 -18.582 7.917 1.00 1.57 C ATOM 493 O PRO A 32 -3.264 -18.468 8.065 1.00 2.23 O ATOM 494 CB PRO A 32 -5.914 -17.516 9.681 1.00 1.44 C ATOM 495 CG PRO A 32 -7.226 -18.215 9.588 1.00 1.39 C ATOM 496 CD PRO A 32 -7.831 -17.785 8.280 1.00 1.19 C ATOM 0 HA PRO A 32 -4.840 -16.522 8.027 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.213 -18.071 10.304 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.023 -16.527 10.127 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.095 -19.297 9.621 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -7.872 -17.946 10.424 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.437 -18.576 7.838 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.479 -16.917 8.403 1.00 1.19 H new ATOM 504 N ARG A 33 -5.056 -19.698 7.478 1.00 1.74 N ATOM 505 CA ARG A 33 -4.270 -20.878 7.139 1.00 2.03 C ATOM 506 C ARG A 33 -4.943 -21.679 6.029 1.00 3.00 C ATOM 507 O ARG A 33 -5.731 -21.140 5.251 1.00 3.75 O ATOM 508 CB ARG A 33 -4.077 -21.760 8.374 1.00 1.88 C ATOM 509 CG ARG A 33 -5.365 -22.035 9.133 1.00 2.44 C ATOM 510 CD ARG A 33 -5.176 -21.874 10.634 1.00 3.16 C ATOM 511 NE ARG A 33 -4.842 -23.139 11.283 1.00 3.92 N ATOM 512 CZ ARG A 33 -5.737 -24.078 11.580 1.00 4.70 C ATOM 513 NH1 ARG A 33 -7.020 -23.899 11.288 1.00 4.92 N ATOM 514 NH2 ARG A 33 -5.349 -25.201 12.170 1.00 5.58 N ATOM 0 H ARG A 33 -6.062 -19.809 7.349 1.00 1.74 H new ATOM 0 HA ARG A 33 -3.295 -20.545 6.783 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -3.636 -22.709 8.067 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -3.365 -21.280 9.045 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -6.143 -21.354 8.789 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -5.707 -23.047 8.915 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -4.384 -21.149 10.824 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -6.089 -21.471 11.073 1.00 3.16 H new ATOM 0 HE ARG A 33 -3.866 -23.313 11.523 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -7.324 -23.038 10.834 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -7.701 -24.622 11.518 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -4.365 -25.345 12.396 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -6.035 -25.921 12.398 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -14.331 -22.750 2.446 1.00 5.15 N ATOM 530 CA CYS B 1 -15.080 -22.447 1.232 1.00 4.44 C ATOM 531 C CYS B 1 -14.245 -21.608 0.272 1.00 3.68 C ATOM 532 O CYS B 1 -13.980 -20.434 0.528 1.00 4.02 O ATOM 533 CB CYS B 1 -16.376 -21.711 1.577 1.00 4.47 C ATOM 534 SG CYS B 1 -17.505 -22.655 2.627 1.00 5.51 S ATOM 0 H1 CYS B 1 -14.991 -22.863 3.242 1.00 5.15 H new ATOM 0 H2 CYS B 1 -13.796 -23.632 2.313 1.00 5.15 H new ATOM 0 H3 CYS B 1 -13.672 -21.972 2.650 1.00 5.15 H new ATOM 0 HA CYS B 1 -15.325 -23.389 0.742 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -16.127 -20.776 2.078 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -16.890 -21.450 0.652 1.00 4.47 H new ATOM 0 HG CYS B 1 -18.570 -21.948 2.865 1.00 5.51 H new ATOM 540 N GLY B 2 -13.831 -22.218 -0.834 1.00 3.11 N ATOM 541 CA GLY B 2 -13.030 -21.512 -1.816 1.00 2.73 C ATOM 542 C GLY B 2 -11.573 -21.931 -1.785 1.00 2.20 C ATOM 543 O GLY B 2 -10.879 -21.859 -2.798 1.00 2.81 O ATOM 0 H GLY B 2 -14.036 -23.189 -1.067 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.436 -21.694 -2.811 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.100 -20.439 -1.635 1.00 2.73 H new ATOM 547 N GLY B 3 -11.109 -22.370 -0.618 1.00 1.66 N ATOM 548 CA GLY B 3 -9.729 -22.796 -0.483 1.00 1.45 C ATOM 549 C GLY B 3 -8.763 -21.629 -0.419 1.00 1.30 C ATOM 550 O GLY B 3 -8.651 -20.962 0.611 1.00 1.48 O ATOM 0 H GLY B 3 -11.664 -22.438 0.235 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.625 -23.399 0.419 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.466 -23.435 -1.326 1.00 1.45 H new ATOM 554 N ASP B 4 -8.064 -21.380 -1.522 1.00 1.06 N ATOM 555 CA ASP B 4 -7.102 -20.286 -1.587 1.00 1.10 C ATOM 556 C ASP B 4 -7.607 -19.154 -2.479 1.00 1.01 C ATOM 557 O ASP B 4 -6.846 -18.264 -2.856 1.00 1.22 O ATOM 558 CB ASP B 4 -5.765 -20.790 -2.117 1.00 1.23 C ATOM 559 CG ASP B 4 -5.171 -21.882 -1.249 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.641 -23.035 -1.342 1.00 2.34 O ATOM 561 OD2 ASP B 4 -4.235 -21.584 -0.478 1.00 2.59 O ATOM 0 H ASP B 4 -8.146 -21.921 -2.383 1.00 1.06 H new ATOM 0 HA ASP B 4 -6.973 -19.899 -0.576 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -5.899 -21.168 -3.130 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.065 -19.957 -2.178 1.00 1.23 H new ATOM 566 N ASN B 5 -8.894 -19.189 -2.807 1.00 0.92 N ATOM 567 CA ASN B 5 -9.499 -18.160 -3.647 1.00 1.02 C ATOM 568 C ASN B 5 -9.193 -16.779 -3.085 1.00 0.99 C ATOM 569 O ASN B 5 -9.103 -15.797 -3.821 1.00 1.39 O ATOM 570 CB ASN B 5 -11.011 -18.367 -3.739 1.00 1.19 C ATOM 571 CG ASN B 5 -11.570 -17.962 -5.089 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.519 -17.181 -5.172 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.982 -18.491 -6.155 1.00 1.86 N ATOM 0 H ASN B 5 -9.539 -19.919 -2.504 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.076 -18.236 -4.649 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.243 -19.416 -3.553 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.502 -17.788 -2.957 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.314 -18.255 -7.090 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.199 -19.134 -6.039 1.00 1.86 H new ATOM 580 N ILE B 6 -9.021 -16.723 -1.769 1.00 0.68 N ATOM 581 CA ILE B 6 -8.710 -15.480 -1.087 1.00 0.63 C ATOM 582 C ILE B 6 -7.220 -15.184 -1.181 1.00 0.56 C ATOM 583 O ILE B 6 -6.813 -14.055 -1.456 1.00 0.53 O ATOM 584 CB ILE B 6 -9.117 -15.546 0.395 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.552 -16.061 0.537 1.00 0.87 C ATOM 586 CG2 ILE B 6 -8.971 -14.180 1.043 1.00 0.85 C ATOM 587 CD1 ILE B 6 -10.698 -17.166 1.560 1.00 1.57 C ATOM 0 H ILE B 6 -9.093 -17.532 -1.153 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.274 -14.685 -1.574 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.453 -16.243 0.906 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.202 -15.231 0.815 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -10.896 -16.425 -0.431 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.262 -14.242 2.092 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -7.933 -13.853 0.973 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.612 -13.463 0.530 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -11.740 -17.482 1.608 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.075 -18.013 1.272 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.385 -16.800 2.538 1.00 1.57 H new ATOM 599 N GLU B 7 -6.411 -16.215 -0.959 1.00 0.60 N ATOM 600 CA GLU B 7 -4.959 -16.086 -1.024 1.00 0.59 C ATOM 601 C GLU B 7 -4.527 -15.541 -2.380 1.00 0.57 C ATOM 602 O GLU B 7 -3.495 -14.881 -2.496 1.00 0.53 O ATOM 603 CB GLU B 7 -4.293 -17.441 -0.769 1.00 0.75 C ATOM 604 CG GLU B 7 -2.994 -17.343 0.014 1.00 0.78 C ATOM 605 CD GLU B 7 -1.977 -18.382 -0.412 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.277 -18.148 -1.420 1.00 1.94 O ATOM 607 OE2 GLU B 7 -1.879 -19.429 0.261 1.00 1.93 O ATOM 0 H GLU B 7 -6.738 -17.154 -0.731 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.644 -15.385 -0.251 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -4.988 -18.081 -0.225 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.095 -17.925 -1.725 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.569 -16.348 -0.118 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.205 -17.461 1.077 1.00 0.78 H new ATOM 614 N GLN B 8 -5.330 -15.813 -3.401 1.00 0.64 N ATOM 615 CA GLN B 8 -5.039 -15.340 -4.747 1.00 0.69 C ATOM 616 C GLN B 8 -5.448 -13.880 -4.888 1.00 0.63 C ATOM 617 O GLN B 8 -4.717 -13.065 -5.455 1.00 0.67 O ATOM 618 CB GLN B 8 -5.776 -16.196 -5.779 1.00 0.82 C ATOM 619 CG GLN B 8 -5.245 -16.033 -7.194 1.00 1.18 C ATOM 620 CD GLN B 8 -3.970 -16.818 -7.432 1.00 1.54 C ATOM 621 OE1 GLN B 8 -2.911 -16.242 -7.686 1.00 2.16 O ATOM 622 NE2 GLN B 8 -4.065 -18.140 -7.351 1.00 2.22 N ATOM 0 H GLN B 8 -6.188 -16.359 -3.322 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.967 -15.424 -4.925 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.701 -17.244 -5.490 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.835 -15.937 -5.765 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -6.006 -16.359 -7.903 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -5.059 -14.977 -7.389 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -4.963 -18.575 -7.138 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -3.240 -18.721 -7.502 1.00 2.22 H new ATOM 631 N LYS B 9 -6.622 -13.558 -4.358 1.00 0.57 N ATOM 632 CA LYS B 9 -7.138 -12.198 -4.410 1.00 0.58 C ATOM 633 C LYS B 9 -6.193 -11.234 -3.702 1.00 0.50 C ATOM 634 O LYS B 9 -6.039 -10.085 -4.118 1.00 0.59 O ATOM 635 CB LYS B 9 -8.528 -12.132 -3.773 1.00 0.64 C ATOM 636 CG LYS B 9 -9.660 -12.367 -4.759 1.00 1.01 C ATOM 637 CD LYS B 9 -11.017 -12.122 -4.119 1.00 1.26 C ATOM 638 CE LYS B 9 -12.089 -13.011 -4.727 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.298 -12.720 -6.173 1.00 2.37 N ATOM 0 H LYS B 9 -7.235 -14.223 -3.886 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.214 -11.902 -5.456 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.590 -12.875 -2.978 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.659 -11.155 -3.308 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.538 -11.708 -5.619 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.612 -13.390 -5.132 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -10.954 -12.308 -3.047 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.296 -11.076 -4.245 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.806 -14.056 -4.604 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -13.026 -12.869 -4.189 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.060 -13.324 -6.542 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -12.560 -11.720 -6.292 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -11.420 -12.912 -6.696 1.00 2.37 H new ATOM 653 N ILE B 10 -5.558 -11.706 -2.633 1.00 0.41 N ATOM 654 CA ILE B 10 -4.630 -10.871 -1.884 1.00 0.38 C ATOM 655 C ILE B 10 -3.340 -10.654 -2.659 1.00 0.36 C ATOM 656 O ILE B 10 -2.831 -9.538 -2.719 1.00 0.37 O ATOM 657 CB ILE B 10 -4.283 -11.458 -0.505 1.00 0.42 C ATOM 658 CG1 ILE B 10 -3.880 -12.930 -0.611 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.451 -11.290 0.453 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.318 -13.492 0.675 1.00 1.11 C ATOM 0 H ILE B 10 -5.669 -12.653 -2.270 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.141 -9.920 -1.734 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.428 -10.908 -0.112 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.750 -13.517 -0.906 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.138 -13.040 -1.402 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.189 -11.711 1.424 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.679 -10.230 0.566 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.324 -11.809 0.057 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.053 -14.539 0.529 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.429 -12.929 0.960 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.066 -13.413 1.464 1.00 1.11 H new ATOM 672 N ASP B 11 -2.817 -11.719 -3.263 1.00 0.39 N ATOM 673 CA ASP B 11 -1.587 -11.619 -4.043 1.00 0.47 C ATOM 674 C ASP B 11 -1.674 -10.435 -4.996 1.00 0.48 C ATOM 675 O ASP B 11 -0.684 -9.745 -5.256 1.00 0.52 O ATOM 676 CB ASP B 11 -1.344 -12.909 -4.827 1.00 0.58 C ATOM 677 CG ASP B 11 0.127 -13.270 -4.905 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.880 -12.546 -5.589 1.00 1.45 O ATOM 679 OD2 ASP B 11 0.524 -14.277 -4.281 1.00 1.51 O ATOM 0 H ASP B 11 -3.223 -12.654 -3.228 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.751 -11.467 -3.361 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.891 -13.726 -4.356 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.742 -12.798 -5.836 1.00 0.58 H new ATOM 684 N ASP B 12 -2.882 -10.191 -5.491 1.00 0.48 N ATOM 685 CA ASP B 12 -3.122 -9.078 -6.396 1.00 0.53 C ATOM 686 C ASP B 12 -2.954 -7.764 -5.647 1.00 0.49 C ATOM 687 O ASP B 12 -2.242 -6.864 -6.094 1.00 0.54 O ATOM 688 CB ASP B 12 -4.527 -9.167 -6.995 1.00 0.60 C ATOM 689 CG ASP B 12 -4.643 -10.264 -8.035 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.849 -10.254 -9.000 1.00 1.44 O ATOM 691 OD2 ASP B 12 -5.527 -11.132 -7.886 1.00 1.32 O ATOM 0 H ASP B 12 -3.709 -10.750 -5.280 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.398 -9.123 -7.210 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.248 -9.348 -6.198 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.787 -8.211 -7.449 1.00 0.60 H new ATOM 696 N ILE B 13 -3.602 -7.671 -4.492 1.00 0.43 N ATOM 697 CA ILE B 13 -3.516 -6.478 -3.664 1.00 0.44 C ATOM 698 C ILE B 13 -2.071 -6.216 -3.257 1.00 0.42 C ATOM 699 O ILE B 13 -1.577 -5.101 -3.385 1.00 0.45 O ATOM 700 CB ILE B 13 -4.385 -6.604 -2.395 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.815 -7.000 -2.767 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.376 -5.296 -1.614 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.733 -7.143 -1.571 1.00 0.50 C ATOM 0 H ILE B 13 -4.193 -8.409 -4.109 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.889 -5.644 -4.259 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.966 -7.385 -1.761 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.227 -6.251 -3.443 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.792 -7.944 -3.312 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.993 -5.401 -0.722 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.354 -5.054 -1.322 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.774 -4.496 -2.239 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.730 -7.425 -1.909 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.345 -7.913 -0.904 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.786 -6.194 -1.037 1.00 0.50 H new ATOM 715 N ASP B 14 -1.395 -7.257 -2.775 1.00 0.40 N ATOM 716 CA ASP B 14 -0.002 -7.144 -2.353 1.00 0.43 C ATOM 717 C ASP B 14 0.838 -6.441 -3.415 1.00 0.46 C ATOM 718 O ASP B 14 1.785 -5.722 -3.095 1.00 0.48 O ATOM 719 CB ASP B 14 0.576 -8.532 -2.066 1.00 0.44 C ATOM 720 CG ASP B 14 1.496 -8.535 -0.861 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.334 -7.658 0.013 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.380 -9.417 -0.792 1.00 1.32 O ATOM 0 H ASP B 14 -1.792 -8.191 -2.667 1.00 0.40 H new ATOM 0 HA ASP B 14 0.028 -6.546 -1.442 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.240 -9.235 -1.899 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.125 -8.882 -2.940 1.00 0.44 H new ATOM 727 N HIS B 15 0.477 -6.646 -4.677 1.00 0.47 N ATOM 728 CA HIS B 15 1.194 -6.023 -5.780 1.00 0.52 C ATOM 729 C HIS B 15 0.834 -4.547 -5.878 1.00 0.53 C ATOM 730 O HIS B 15 1.630 -3.730 -6.343 1.00 0.56 O ATOM 731 CB HIS B 15 0.861 -6.727 -7.095 1.00 0.56 C ATOM 732 CG HIS B 15 1.751 -6.326 -8.230 1.00 0.76 C ATOM 733 ND1 HIS B 15 2.863 -5.526 -8.069 1.00 0.92 N ATOM 734 CD2 HIS B 15 1.690 -6.619 -9.551 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.446 -5.343 -9.240 1.00 1.12 C ATOM 736 NE2 HIS B 15 2.754 -5.996 -10.156 1.00 1.19 N ATOM 0 H HIS B 15 -0.305 -7.237 -4.960 1.00 0.47 H new ATOM 0 HA HIS B 15 2.264 -6.114 -5.591 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.935 -7.805 -6.950 1.00 0.56 H new ATOM 0 HB3 HIS B 15 -0.174 -6.511 -7.361 1.00 0.56 H new ATOM 0 HD2 HIS B 15 0.944 -7.229 -10.038 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.337 -4.759 -9.418 1.00 1.12 H new ATOM 0 HE2 HIS B 15 2.974 -6.032 -11.151 1.00 1.19 H new ATOM 745 N GLU B 16 -0.373 -4.215 -5.437 1.00 0.52 N ATOM 746 CA GLU B 16 -0.846 -2.840 -5.474 1.00 0.56 C ATOM 747 C GLU B 16 -0.386 -2.073 -4.239 1.00 0.57 C ATOM 748 O GLU B 16 -0.077 -0.885 -4.313 1.00 0.64 O ATOM 749 CB GLU B 16 -2.373 -2.808 -5.570 1.00 0.58 C ATOM 750 CG GLU B 16 -2.940 -3.815 -6.558 1.00 0.59 C ATOM 751 CD GLU B 16 -2.920 -3.304 -7.986 1.00 1.29 C ATOM 752 OE1 GLU B 16 -1.884 -2.744 -8.402 1.00 2.03 O ATOM 753 OE2 GLU B 16 -3.941 -3.465 -8.688 1.00 1.99 O ATOM 0 H GLU B 16 -1.041 -4.881 -5.050 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.423 -2.359 -6.356 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.795 -3.001 -4.584 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.690 -1.807 -5.862 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.366 -4.740 -6.499 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -3.965 -4.057 -6.277 1.00 0.59 H new ATOM 760 N ILE B 17 -0.340 -2.766 -3.107 1.00 0.53 N ATOM 761 CA ILE B 17 0.083 -2.160 -1.851 1.00 0.57 C ATOM 762 C ILE B 17 1.532 -1.695 -1.936 1.00 0.57 C ATOM 763 O ILE B 17 1.915 -0.697 -1.325 1.00 0.61 O ATOM 764 CB ILE B 17 -0.057 -3.151 -0.677 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.446 -3.793 -0.679 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.202 -2.445 0.646 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.474 -5.176 -0.068 1.00 1.06 C ATOM 0 H ILE B 17 -0.592 -3.752 -3.034 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.566 -1.302 -1.673 1.00 0.57 H new ATOM 0 HB ILE B 17 0.686 -3.939 -0.800 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.135 -3.149 -0.133 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.809 -3.851 -1.705 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.099 -3.157 1.465 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.211 -2.033 0.647 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.519 -1.638 0.775 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.490 -5.569 -0.104 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.810 -5.835 -0.628 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.142 -5.123 0.969 1.00 1.06 H new ATOM 779 N ALA B 18 2.332 -2.431 -2.702 1.00 0.53 N ATOM 780 CA ALA B 18 3.743 -2.106 -2.874 1.00 0.55 C ATOM 781 C ALA B 18 3.930 -0.995 -3.902 1.00 0.55 C ATOM 782 O ALA B 18 4.788 -0.127 -3.741 1.00 0.57 O ATOM 783 CB ALA B 18 4.520 -3.348 -3.284 1.00 0.58 C ATOM 0 H ALA B 18 2.026 -3.258 -3.214 1.00 0.53 H new ATOM 0 HA ALA B 18 4.129 -1.747 -1.920 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.572 -3.094 -3.410 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.421 -4.111 -2.512 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.124 -3.731 -4.225 1.00 0.58 H new ATOM 789 N ASP B 19 3.124 -1.027 -4.960 1.00 0.55 N ATOM 790 CA ASP B 19 3.206 -0.020 -6.013 1.00 0.57 C ATOM 791 C ASP B 19 3.107 1.388 -5.432 1.00 0.55 C ATOM 792 O ASP B 19 3.849 2.287 -5.827 1.00 0.57 O ATOM 793 CB ASP B 19 2.096 -0.239 -7.043 1.00 0.61 C ATOM 794 CG ASP B 19 2.557 0.043 -8.460 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.277 1.044 -8.661 1.00 1.58 O ATOM 796 OD2 ASP B 19 2.200 -0.737 -9.366 1.00 1.57 O ATOM 0 H ASP B 19 2.408 -1.738 -5.110 1.00 0.55 H new ATOM 0 HA ASP B 19 4.174 -0.122 -6.504 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.741 -1.268 -6.977 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.250 0.406 -6.804 1.00 0.61 H new ATOM 801 N LEU B 20 2.188 1.569 -4.491 1.00 0.52 N ATOM 802 CA LEU B 20 1.994 2.865 -3.853 1.00 0.52 C ATOM 803 C LEU B 20 3.174 3.209 -2.950 1.00 0.50 C ATOM 804 O LEU B 20 3.736 4.301 -3.036 1.00 0.50 O ATOM 805 CB LEU B 20 0.698 2.872 -3.042 1.00 0.57 C ATOM 806 CG LEU B 20 -0.513 2.252 -3.741 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.780 2.526 -2.949 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.647 2.782 -5.161 1.00 0.62 C ATOM 0 H LEU B 20 1.566 0.835 -4.153 1.00 0.52 H new ATOM 0 HA LEU B 20 1.926 3.619 -4.637 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.870 2.338 -2.108 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.458 3.903 -2.780 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.362 1.174 -3.793 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.632 2.078 -3.460 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.687 2.095 -1.952 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.931 3.602 -2.866 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.515 2.327 -5.639 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.773 3.864 -5.135 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.250 2.534 -5.728 1.00 0.62 H new ATOM 820 N GLN B 21 3.542 2.271 -2.082 1.00 0.51 N ATOM 821 CA GLN B 21 4.653 2.473 -1.156 1.00 0.52 C ATOM 822 C GLN B 21 5.902 2.954 -1.890 1.00 0.51 C ATOM 823 O GLN B 21 6.613 3.837 -1.413 1.00 0.51 O ATOM 824 CB GLN B 21 4.957 1.177 -0.403 1.00 0.56 C ATOM 825 CG GLN B 21 5.362 1.395 1.046 1.00 0.88 C ATOM 826 CD GLN B 21 6.495 0.484 1.477 1.00 1.31 C ATOM 827 OE1 GLN B 21 6.345 -0.737 1.514 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.636 1.077 1.809 1.00 1.93 N ATOM 0 H GLN B 21 3.087 1.362 -2.000 1.00 0.51 H new ATOM 0 HA GLN B 21 4.359 3.242 -0.442 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.077 0.535 -0.433 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.757 0.646 -0.919 1.00 0.56 H new ATOM 0 HG2 GLN B 21 5.663 2.434 1.183 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.499 1.226 1.690 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.715 2.093 1.763 1.00 1.93 H new ATOM 0 HE22 GLN B 21 8.433 0.517 2.110 1.00 1.93 H new ATOM 837 N ALA B 22 6.160 2.366 -3.052 1.00 0.52 N ATOM 838 CA ALA B 22 7.323 2.731 -3.852 1.00 0.55 C ATOM 839 C ALA B 22 7.208 4.160 -4.370 1.00 0.54 C ATOM 840 O ALA B 22 8.205 4.870 -4.491 1.00 0.62 O ATOM 841 CB ALA B 22 7.492 1.760 -5.010 1.00 0.60 C ATOM 0 H ALA B 22 5.579 1.634 -3.462 1.00 0.52 H new ATOM 0 HA ALA B 22 8.204 2.675 -3.213 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.364 2.044 -5.599 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.630 0.751 -4.622 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.603 1.788 -5.641 1.00 0.60 H new ATOM 847 N LYS B 23 5.983 4.576 -4.678 1.00 0.54 N ATOM 848 CA LYS B 23 5.738 5.921 -5.186 1.00 0.55 C ATOM 849 C LYS B 23 5.988 6.969 -4.108 1.00 0.49 C ATOM 850 O LYS B 23 6.467 8.068 -4.393 1.00 0.55 O ATOM 851 CB LYS B 23 4.304 6.038 -5.706 1.00 0.59 C ATOM 852 CG LYS B 23 4.131 5.536 -7.131 1.00 0.69 C ATOM 853 CD LYS B 23 2.855 4.725 -7.287 1.00 0.76 C ATOM 854 CE LYS B 23 1.647 5.624 -7.499 1.00 0.96 C ATOM 855 NZ LYS B 23 1.287 6.372 -6.264 1.00 1.43 N ATOM 0 H LYS B 23 5.146 4.001 -4.585 1.00 0.54 H new ATOM 0 HA LYS B 23 6.432 6.102 -6.007 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.641 5.476 -5.048 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.992 7.081 -5.657 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.110 6.384 -7.816 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.989 4.923 -7.408 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.956 4.044 -8.132 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.702 4.111 -6.400 1.00 0.76 H new ATOM 0 HE2 LYS B 23 1.857 6.330 -8.303 1.00 0.96 H new ATOM 0 HE3 LYS B 23 0.797 5.021 -7.818 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 0.287 6.653 -6.307 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 1.441 5.765 -5.433 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 1.882 7.222 -6.187 1.00 1.43 H new ATOM 869 N ARG B 24 5.658 6.627 -2.868 1.00 0.45 N ATOM 870 CA ARG B 24 5.844 7.541 -1.747 1.00 0.47 C ATOM 871 C ARG B 24 7.324 7.695 -1.402 1.00 0.52 C ATOM 872 O ARG B 24 7.789 8.794 -1.102 1.00 0.60 O ATOM 873 CB ARG B 24 5.073 7.042 -0.523 1.00 0.55 C ATOM 874 CG ARG B 24 5.242 7.922 0.706 1.00 1.05 C ATOM 875 CD ARG B 24 3.937 8.069 1.472 1.00 1.09 C ATOM 876 NE ARG B 24 3.821 9.380 2.107 1.00 1.29 N ATOM 877 CZ ARG B 24 4.569 9.774 3.135 1.00 1.81 C ATOM 878 NH1 ARG B 24 5.488 8.964 3.645 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.400 10.983 3.652 1.00 2.12 N ATOM 0 H ARG B 24 5.260 5.723 -2.613 1.00 0.45 H new ATOM 0 HA ARG B 24 5.457 8.517 -2.041 1.00 0.47 H new ATOM 0 HB2 ARG B 24 4.014 6.980 -0.772 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.403 6.031 -0.284 1.00 0.55 H new ATOM 0 HG2 ARG B 24 6.002 7.494 1.359 1.00 1.05 H new ATOM 0 HG3 ARG B 24 5.600 8.906 0.403 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.098 7.920 0.792 1.00 1.09 H new ATOM 0 HD3 ARG B 24 3.873 7.291 2.232 1.00 1.09 H new ATOM 0 HE ARG B 24 3.126 10.031 1.741 1.00 1.29 H new ATOM 0 HH11 ARG B 24 5.624 8.034 3.249 1.00 2.28 H new ATOM 0 HH12 ARG B 24 6.058 9.272 4.433 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.697 11.611 3.262 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.973 11.285 4.440 1.00 2.12 H new ATOM 893 N THR B 25 8.056 6.586 -1.440 1.00 0.52 N ATOM 894 CA THR B 25 9.480 6.598 -1.125 1.00 0.60 C ATOM 895 C THR B 25 10.263 7.446 -2.121 1.00 0.61 C ATOM 896 O THR B 25 11.002 8.351 -1.732 1.00 0.67 O ATOM 897 CB THR B 25 10.036 5.175 -1.118 1.00 0.64 C ATOM 898 OG1 THR B 25 8.998 4.230 -0.926 1.00 0.70 O ATOM 899 CG2 THR B 25 11.074 4.943 -0.042 1.00 0.75 C ATOM 0 H THR B 25 7.686 5.668 -1.686 1.00 0.52 H new ATOM 0 HA THR B 25 9.593 7.037 -0.134 1.00 0.60 H new ATOM 0 HB THR B 25 10.510 5.047 -2.091 1.00 0.64 H new ATOM 0 HG1 THR B 25 8.457 4.168 -1.741 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.427 3.913 -0.093 1.00 0.75 H new ATOM 0 HG22 THR B 25 11.913 5.622 -0.193 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.631 5.127 0.937 1.00 0.75 H new ATOM 907 N ARG B 26 10.103 7.147 -3.409 1.00 0.61 N ATOM 908 CA ARG B 26 10.804 7.885 -4.454 1.00 0.68 C ATOM 909 C ARG B 26 10.619 9.386 -4.267 1.00 0.64 C ATOM 910 O ARG B 26 11.569 10.162 -4.395 1.00 0.71 O ATOM 911 CB ARG B 26 10.313 7.456 -5.839 1.00 0.72 C ATOM 912 CG ARG B 26 8.845 7.757 -6.092 1.00 0.67 C ATOM 913 CD ARG B 26 8.439 7.388 -7.511 1.00 1.10 C ATOM 914 NE ARG B 26 8.258 8.568 -8.355 1.00 1.56 N ATOM 915 CZ ARG B 26 7.123 9.260 -8.429 1.00 2.14 C ATOM 916 NH1 ARG B 26 6.067 8.904 -7.709 1.00 2.60 N ATOM 917 NH2 ARG B 26 7.045 10.317 -9.227 1.00 2.89 N ATOM 0 H ARG B 26 9.496 6.402 -3.751 1.00 0.61 H new ATOM 0 HA ARG B 26 11.867 7.656 -4.378 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.913 7.958 -6.598 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.480 6.385 -5.957 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.231 7.204 -5.381 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.655 8.817 -5.921 1.00 0.67 H new ATOM 0 HD2 ARG B 26 9.200 6.743 -7.949 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.512 6.815 -7.485 1.00 1.10 H new ATOM 0 HE ARG B 26 9.048 8.879 -8.920 1.00 1.56 H new ATOM 0 HH11 ARG B 26 6.120 8.094 -7.092 1.00 2.60 H new ATOM 0 HH12 ARG B 26 5.202 9.441 -7.773 1.00 2.60 H new ATOM 0 HH21 ARG B 26 7.853 10.598 -9.782 1.00 2.89 H new ATOM 0 HH22 ARG B 26 6.177 10.849 -9.286 1.00 2.89 H new ATOM 931 N LEU B 27 9.397 9.787 -3.944 1.00 0.57 N ATOM 932 CA LEU B 27 9.100 11.194 -3.721 1.00 0.55 C ATOM 933 C LEU B 27 9.880 11.707 -2.517 1.00 0.56 C ATOM 934 O LEU B 27 10.339 12.848 -2.503 1.00 0.61 O ATOM 935 CB LEU B 27 7.600 11.404 -3.506 1.00 0.51 C ATOM 936 CG LEU B 27 6.818 11.821 -4.754 1.00 0.60 C ATOM 937 CD1 LEU B 27 7.182 13.239 -5.162 1.00 1.38 C ATOM 938 CD2 LEU B 27 7.082 10.852 -5.897 1.00 1.34 C ATOM 0 H LEU B 27 8.600 9.161 -3.831 1.00 0.57 H new ATOM 0 HA LEU B 27 9.401 11.755 -4.606 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.171 10.480 -3.119 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.462 12.165 -2.738 1.00 0.51 H new ATOM 0 HG LEU B 27 5.754 11.794 -4.519 1.00 0.60 H new ATOM 0 HD11 LEU B 27 6.616 13.518 -6.051 1.00 1.38 H new ATOM 0 HD12 LEU B 27 6.942 13.924 -4.349 1.00 1.38 H new ATOM 0 HD13 LEU B 27 8.249 13.293 -5.379 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.518 11.164 -6.776 1.00 1.34 H new ATOM 0 HD22 LEU B 27 8.146 10.847 -6.132 1.00 1.34 H new ATOM 0 HD23 LEU B 27 6.771 9.849 -5.603 1.00 1.34 H new ATOM 950 N VAL B 28 10.037 10.849 -1.512 1.00 0.57 N ATOM 951 CA VAL B 28 10.773 11.217 -0.311 1.00 0.63 C ATOM 952 C VAL B 28 12.236 11.464 -0.641 1.00 0.73 C ATOM 953 O VAL B 28 12.826 12.452 -0.205 1.00 0.79 O ATOM 954 CB VAL B 28 10.680 10.127 0.770 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.341 10.593 2.059 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.230 9.735 1.015 1.00 0.63 C ATOM 0 H VAL B 28 9.665 9.899 -1.507 1.00 0.57 H new ATOM 0 HA VAL B 28 10.320 12.130 0.076 1.00 0.63 H new ATOM 0 HB VAL B 28 11.213 9.245 0.415 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.265 9.808 2.811 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.392 10.814 1.870 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.841 11.492 2.420 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.187 8.963 1.783 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.668 10.608 1.346 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.795 9.353 0.091 1.00 0.63 H new ATOM 966 N GLN B 29 12.815 10.562 -1.428 1.00 0.80 N ATOM 967 CA GLN B 29 14.210 10.689 -1.834 1.00 0.92 C ATOM 968 C GLN B 29 14.461 12.078 -2.405 1.00 0.94 C ATOM 969 O GLN B 29 15.539 12.649 -2.240 1.00 1.02 O ATOM 970 CB GLN B 29 14.565 9.622 -2.870 1.00 1.05 C ATOM 971 CG GLN B 29 15.139 8.351 -2.263 1.00 1.34 C ATOM 972 CD GLN B 29 14.634 7.098 -2.950 1.00 1.63 C ATOM 973 OE1 GLN B 29 14.607 7.016 -4.178 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.230 6.111 -2.158 1.00 1.99 N ATOM 0 H GLN B 29 12.341 9.737 -1.796 1.00 0.80 H new ATOM 0 HA GLN B 29 14.843 10.545 -0.958 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.671 9.370 -3.441 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.287 10.037 -3.574 1.00 1.05 H new ATOM 0 HG2 GLN B 29 16.227 8.382 -2.325 1.00 1.34 H new ATOM 0 HG3 GLN B 29 14.882 8.310 -1.205 1.00 1.34 H new ATOM 0 HE21 GLN B 29 14.270 6.221 -1.145 1.00 1.99 H new ATOM 0 HE22 GLN B 29 13.880 5.243 -2.563 1.00 1.99 H new ATOM 983 N GLN B 30 13.442 12.621 -3.063 1.00 0.93 N ATOM 984 CA GLN B 30 13.530 13.950 -3.647 1.00 1.05 C ATOM 985 C GLN B 30 13.529 15.011 -2.553 1.00 1.03 C ATOM 986 O GLN B 30 14.152 16.063 -2.693 1.00 1.16 O ATOM 987 CB GLN B 30 12.365 14.189 -4.607 1.00 1.14 C ATOM 988 CG GLN B 30 12.633 13.708 -6.024 1.00 1.56 C ATOM 989 CD GLN B 30 13.055 14.830 -6.951 1.00 1.85 C ATOM 990 OE1 GLN B 30 12.220 15.574 -7.465 1.00 2.32 O ATOM 991 NE2 GLN B 30 14.359 14.958 -7.171 1.00 2.39 N ATOM 0 H GLN B 30 12.544 12.158 -3.204 1.00 0.93 H new ATOM 0 HA GLN B 30 14.464 14.019 -4.204 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.479 13.683 -4.222 1.00 1.14 H new ATOM 0 HB3 GLN B 30 12.138 15.255 -4.631 1.00 1.14 H new ATOM 0 HG2 GLN B 30 13.412 12.946 -6.004 1.00 1.56 H new ATOM 0 HG3 GLN B 30 11.734 13.234 -6.419 1.00 1.56 H new ATOM 0 HE21 GLN B 30 15.017 14.319 -6.724 1.00 2.39 H new ATOM 0 HE22 GLN B 30 14.702 15.695 -7.787 1.00 2.39 H new ATOM 1000 N HIS B 31 12.829 14.724 -1.457 1.00 0.92 N ATOM 1001 CA HIS B 31 12.758 15.656 -0.335 1.00 1.01 C ATOM 1002 C HIS B 31 12.780 14.910 1.000 1.00 1.11 C ATOM 1003 O HIS B 31 11.792 14.902 1.736 1.00 1.33 O ATOM 1004 CB HIS B 31 11.502 16.528 -0.436 1.00 1.26 C ATOM 1005 CG HIS B 31 10.223 15.773 -0.252 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.700 14.941 -1.214 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.356 15.734 0.788 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.567 14.423 -0.777 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.336 14.886 0.438 1.00 3.18 N ATOM 0 H HIS B 31 12.306 13.859 -1.323 1.00 0.92 H new ATOM 0 HA HIS B 31 13.635 16.302 -0.380 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.558 17.317 0.314 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.488 17.016 -1.411 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.122 14.753 -2.124 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.450 16.271 1.720 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.936 13.736 -1.321 1.00 2.71 H new ATOM 1018 N PRO B 32 13.916 14.273 1.335 1.00 1.38 N ATOM 1019 CA PRO B 32 14.069 13.527 2.577 1.00 1.79 C ATOM 1020 C PRO B 32 14.460 14.428 3.745 1.00 1.86 C ATOM 1021 O PRO B 32 14.334 15.650 3.668 1.00 2.31 O ATOM 1022 CB PRO B 32 15.197 12.529 2.267 1.00 2.24 C ATOM 1023 CG PRO B 32 15.741 12.900 0.918 1.00 2.17 C ATOM 1024 CD PRO B 32 15.140 14.226 0.535 1.00 1.64 C ATOM 0 HA PRO B 32 13.137 13.050 2.881 1.00 1.79 H new ATOM 0 HB2 PRO B 32 15.977 12.579 3.026 1.00 2.24 H new ATOM 0 HB3 PRO B 32 14.819 11.506 2.264 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.829 12.967 0.949 1.00 2.17 H new ATOM 0 HG3 PRO B 32 15.489 12.138 0.181 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.808 15.055 0.769 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.927 14.280 -0.533 1.00 1.64 H new ATOM 1032 N ARG B 33 14.937 13.816 4.824 1.00 2.06 N ATOM 1033 CA ARG B 33 15.348 14.562 6.006 1.00 2.26 C ATOM 1034 C ARG B 33 14.181 15.361 6.579 1.00 3.01 C ATOM 1035 O ARG B 33 14.437 16.309 7.351 1.00 3.62 O ATOM 1036 CB ARG B 33 16.506 15.502 5.665 1.00 2.19 C ATOM 1037 CG ARG B 33 17.852 14.802 5.579 1.00 2.87 C ATOM 1038 CD ARG B 33 17.889 13.798 4.438 1.00 3.48 C ATOM 1039 NE ARG B 33 17.693 12.429 4.909 1.00 4.18 N ATOM 1040 CZ ARG B 33 18.619 11.730 5.563 1.00 4.96 C ATOM 1041 NH1 ARG B 33 19.804 12.268 5.823 1.00 5.21 N ATOM 1042 NH2 ARG B 33 18.360 10.491 5.957 1.00 5.81 N ATOM 0 H ARG B 33 15.048 12.805 4.903 1.00 2.06 H new ATOM 0 HA ARG B 33 15.679 13.847 6.759 1.00 2.26 H new ATOM 0 HB2 ARG B 33 16.298 15.990 4.713 1.00 2.19 H new ATOM 0 HB3 ARG B 33 16.561 16.286 6.420 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.639 15.542 5.438 1.00 2.87 H new ATOM 0 HG3 ARG B 33 18.058 14.292 6.520 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.115 14.046 3.711 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.846 13.871 3.922 1.00 3.48 H new ATOM 0 HE ARG B 33 16.794 11.982 4.726 1.00 4.18 H new ATOM 0 HH11 ARG B 33 20.009 13.221 5.522 1.00 5.21 H new ATOM 0 HH12 ARG B 33 20.510 11.729 6.324 1.00 5.21 H new ATOM 0 HH21 ARG B 33 17.451 10.072 5.759 1.00 5.81 H new ATOM 0 HH22 ARG B 33 19.070 9.956 6.458 1.00 5.81 H new TER 1056 ARG B 33