USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ -155:sc= 0.352 (180deg=0.081) USER MOD Single : A 1 CYS SG : rot 49:sc= -0.0552 USER MOD Single : A 5 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= -0.0342 (180deg=-0.304) USER MOD Single : A 15 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-0.7) USER MOD Single : A 21 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 72:sc= -0.21 USER MOD Single : A 29 GLN : amide:sc= -0.0541 K(o=-0.054,f=-0.95) USER MOD Single : A 30 GLN : amide:sc=-0.00279 X(o=-0.0028,f=-0.0028) USER MOD Single : A 31 HIS : no HE2:sc= -8.42! C(o=-8.4!,f=-16!) 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= -0.0416 X(o=-0.042,f=0) USER MOD Single : B 8 GLN : amide:sc= 0.529 K(o=0.53,f=-0.33) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0943 K(o=-0.094,f=-0.66) USER MOD Single : B 21 GLN : amide:sc= 0.726 K(o=0.73,f=0) USER MOD Single : B 23 LYS NZ :NH3+ -166:sc= -0.061 (180deg=-0.367) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : B 29 GLN : amide:sc= -0.76 K(o=-0.76,f=-2.2!) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 31 HIS : no HE2:sc= -6.95! C(o=-6.9!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.675 21.163 6.232 1.00 4.71 N ATOM 2 CA CYS A 1 10.478 19.735 5.869 1.00 4.20 C ATOM 3 C CYS A 1 9.238 19.552 5.000 1.00 3.72 C ATOM 4 O CYS A 1 8.141 19.321 5.509 1.00 4.32 O ATOM 5 CB CYS A 1 10.346 18.919 7.157 1.00 4.04 C ATOM 6 SG CYS A 1 9.062 19.519 8.281 1.00 4.94 S ATOM 0 H1 CYS A 1 11.680 21.334 6.435 1.00 4.71 H new ATOM 0 H2 CYS A 1 10.374 21.767 5.441 1.00 4.71 H new ATOM 0 H3 CYS A 1 10.108 21.388 7.074 1.00 4.71 H new ATOM 0 HA CYS A 1 11.336 19.391 5.292 1.00 4.20 H new ATOM 0 HB2 CYS A 1 10.132 17.882 6.898 1.00 4.04 H new ATOM 0 HB3 CYS A 1 11.303 18.926 7.679 1.00 4.04 H new ATOM 0 HG CYS A 1 7.959 19.706 7.619 1.00 4.94 H new ATOM 12 N GLY A 2 9.420 19.659 3.688 1.00 3.04 N ATOM 13 CA GLY A 2 8.306 19.502 2.772 1.00 2.89 C ATOM 14 C GLY A 2 7.294 20.625 2.893 1.00 2.25 C ATOM 15 O GLY A 2 7.621 21.790 2.667 1.00 2.72 O ATOM 0 H GLY A 2 10.318 19.851 3.243 1.00 3.04 H new ATOM 0 HA2 GLY A 2 8.682 19.465 1.750 1.00 2.89 H new ATOM 0 HA3 GLY A 2 7.812 18.550 2.965 1.00 2.89 H new ATOM 19 N GLY A 3 6.061 20.274 3.250 1.00 1.84 N ATOM 20 CA GLY A 3 5.013 21.273 3.392 1.00 1.56 C ATOM 21 C GLY A 3 4.962 22.227 2.215 1.00 1.41 C ATOM 22 O GLY A 3 4.803 23.435 2.391 1.00 1.64 O ATOM 0 H GLY A 3 5.768 19.316 3.444 1.00 1.84 H new ATOM 0 HA2 GLY A 3 4.050 20.773 3.493 1.00 1.56 H new ATOM 0 HA3 GLY A 3 5.176 21.839 4.309 1.00 1.56 H new ATOM 26 N ASP A 4 5.109 21.681 1.013 1.00 1.16 N ATOM 27 CA ASP A 4 5.093 22.488 -0.199 1.00 1.32 C ATOM 28 C ASP A 4 4.073 21.949 -1.202 1.00 1.31 C ATOM 29 O ASP A 4 2.937 22.416 -1.263 1.00 1.72 O ATOM 30 CB ASP A 4 6.494 22.509 -0.821 1.00 1.55 C ATOM 31 CG ASP A 4 6.537 23.258 -2.140 1.00 2.07 C ATOM 32 OD1 ASP A 4 6.335 24.491 -2.129 1.00 2.50 O ATOM 33 OD2 ASP A 4 6.774 22.612 -3.182 1.00 2.71 O ATOM 0 H ASP A 4 5.241 20.682 0.853 1.00 1.16 H new ATOM 0 HA ASP A 4 4.800 23.505 0.062 1.00 1.32 H new ATOM 0 HB2 ASP A 4 7.191 22.972 -0.122 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.833 21.485 -0.978 1.00 1.55 H new ATOM 38 N ASN A 5 4.493 20.959 -1.979 1.00 1.09 N ATOM 39 CA ASN A 5 3.637 20.337 -2.978 1.00 1.25 C ATOM 40 C ASN A 5 3.952 18.852 -3.065 1.00 1.13 C ATOM 41 O ASN A 5 3.053 18.012 -3.105 1.00 1.48 O ATOM 42 CB ASN A 5 3.835 20.998 -4.344 1.00 1.53 C ATOM 43 CG ASN A 5 2.562 21.021 -5.165 1.00 2.03 C ATOM 44 OD1 ASN A 5 2.055 22.086 -5.517 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.036 19.842 -5.476 1.00 2.27 N ATOM 0 H ASN A 5 5.433 20.566 -1.934 1.00 1.09 H new ATOM 0 HA ASN A 5 2.596 20.469 -2.682 1.00 1.25 H new ATOM 0 HB2 ASN A 5 4.191 22.018 -4.202 1.00 1.53 H new ATOM 0 HB3 ASN A 5 4.609 20.464 -4.894 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.179 19.795 -6.027 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.489 18.983 -5.164 1.00 2.27 H new ATOM 52 N ILE A 6 5.244 18.537 -3.066 1.00 0.80 N ATOM 53 CA ILE A 6 5.693 17.155 -3.118 1.00 0.71 C ATOM 54 C ILE A 6 5.275 16.432 -1.850 1.00 0.63 C ATOM 55 O ILE A 6 4.671 15.360 -1.894 1.00 0.60 O ATOM 56 CB ILE A 6 7.226 17.050 -3.256 1.00 0.75 C ATOM 57 CG1 ILE A 6 7.775 18.168 -4.151 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.603 15.684 -3.799 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.210 17.956 -4.589 1.00 1.80 C ATOM 0 H ILE A 6 5.997 19.224 -3.031 1.00 0.80 H new ATOM 0 HA ILE A 6 5.233 16.699 -3.995 1.00 0.71 H new ATOM 0 HB ILE A 6 7.674 17.169 -2.270 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.144 18.254 -5.036 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.705 19.115 -3.616 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.687 15.617 -3.894 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.250 14.911 -3.116 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.144 15.542 -4.777 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.525 18.788 -5.218 1.00 1.80 H new ATOM 0 HD12 ILE A 6 9.854 17.901 -3.711 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.285 17.026 -5.153 1.00 1.80 H new ATOM 71 N GLU A 7 5.603 17.042 -0.718 1.00 0.66 N ATOM 72 CA GLU A 7 5.269 16.480 0.588 1.00 0.63 C ATOM 73 C GLU A 7 3.784 16.142 0.673 1.00 0.59 C ATOM 74 O GLU A 7 3.395 15.165 1.313 1.00 0.56 O ATOM 75 CB GLU A 7 5.642 17.462 1.700 1.00 0.76 C ATOM 76 CG GLU A 7 5.326 16.945 3.095 1.00 0.78 C ATOM 77 CD GLU A 7 6.572 16.612 3.892 1.00 1.41 C ATOM 78 OE1 GLU A 7 7.478 15.960 3.331 1.00 2.15 O ATOM 79 OE2 GLU A 7 6.642 17.002 5.077 1.00 1.96 O ATOM 0 H GLU A 7 6.102 17.930 -0.677 1.00 0.66 H new ATOM 0 HA GLU A 7 5.841 15.561 0.715 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.707 17.684 1.636 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.110 18.400 1.539 1.00 0.76 H new ATOM 0 HG2 GLU A 7 4.745 17.694 3.633 1.00 0.78 H new ATOM 0 HG3 GLU A 7 4.702 16.055 3.015 1.00 0.78 H new ATOM 86 N GLN A 8 2.959 16.952 0.022 1.00 0.64 N ATOM 87 CA GLN A 8 1.518 16.732 0.023 1.00 0.64 C ATOM 88 C GLN A 8 1.157 15.571 -0.894 1.00 0.58 C ATOM 89 O GLN A 8 0.223 14.817 -0.625 1.00 0.60 O ATOM 90 CB GLN A 8 0.785 17.997 -0.424 1.00 0.74 C ATOM 91 CG GLN A 8 -0.651 18.075 0.068 1.00 1.08 C ATOM 92 CD GLN A 8 -0.758 18.660 1.463 1.00 1.55 C ATOM 93 OE1 GLN A 8 0.120 18.460 2.302 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.840 19.387 1.716 1.00 2.21 N ATOM 0 H GLN A 8 3.262 17.766 -0.513 1.00 0.64 H new ATOM 0 HA GLN A 8 1.209 16.487 1.039 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.331 18.869 -0.065 1.00 0.74 H new ATOM 0 HB3 GLN A 8 0.790 18.044 -1.513 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -1.235 18.683 -0.623 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -1.088 17.076 0.062 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -2.542 19.526 0.989 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.969 19.806 2.637 1.00 2.21 H new ATOM 103 N LYS A 9 1.912 15.433 -1.980 1.00 0.56 N ATOM 104 CA LYS A 9 1.680 14.363 -2.940 1.00 0.54 C ATOM 105 C LYS A 9 1.880 13.001 -2.289 1.00 0.47 C ATOM 106 O LYS A 9 1.115 12.067 -2.532 1.00 0.52 O ATOM 107 CB LYS A 9 2.615 14.513 -4.141 1.00 0.59 C ATOM 108 CG LYS A 9 2.053 15.396 -5.243 1.00 0.86 C ATOM 109 CD LYS A 9 3.027 15.529 -6.402 1.00 1.16 C ATOM 110 CE LYS A 9 2.661 14.598 -7.547 1.00 1.65 C ATOM 111 NZ LYS A 9 1.390 15.002 -8.207 1.00 2.42 N ATOM 0 H LYS A 9 2.689 16.050 -2.216 1.00 0.56 H new ATOM 0 HA LYS A 9 0.648 14.433 -3.285 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.564 14.929 -3.802 1.00 0.59 H new ATOM 0 HB3 LYS A 9 2.828 13.526 -4.551 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.113 14.977 -5.603 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.828 16.384 -4.840 1.00 0.86 H new ATOM 0 HD2 LYS A 9 3.033 16.559 -6.757 1.00 1.16 H new ATOM 0 HD3 LYS A 9 4.037 15.305 -6.058 1.00 1.16 H new ATOM 0 HE2 LYS A 9 3.466 14.593 -8.282 1.00 1.65 H new ATOM 0 HE3 LYS A 9 2.567 13.579 -7.171 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 1.366 14.624 -9.175 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 0.584 14.626 -7.668 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 1.330 16.040 -8.239 1.00 2.42 H new ATOM 125 N ILE A 10 2.913 12.892 -1.459 1.00 0.42 N ATOM 126 CA ILE A 10 3.205 11.639 -0.776 1.00 0.38 C ATOM 127 C ILE A 10 2.160 11.334 0.288 1.00 0.38 C ATOM 128 O ILE A 10 1.707 10.198 0.412 1.00 0.38 O ATOM 129 CB ILE A 10 4.592 11.643 -0.112 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.799 12.904 0.728 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.685 11.513 -1.162 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.056 12.868 1.568 1.00 0.95 C ATOM 0 H ILE A 10 3.558 13.653 -1.245 1.00 0.42 H new ATOM 0 HA ILE A 10 3.188 10.868 -1.546 1.00 0.38 H new ATOM 0 HB ILE A 10 4.648 10.784 0.556 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.838 13.770 0.067 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.938 13.041 1.382 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.660 11.518 -0.675 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.556 10.578 -1.707 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.623 12.350 -1.857 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.140 13.794 2.138 1.00 0.95 H new ATOM 0 HD12 ILE A 10 6.011 12.022 2.254 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.925 12.762 0.918 1.00 0.95 H new ATOM 144 N ASP A 11 1.771 12.354 1.053 1.00 0.41 N ATOM 145 CA ASP A 11 0.770 12.178 2.099 1.00 0.46 C ATOM 146 C ASP A 11 -0.447 11.457 1.538 1.00 0.46 C ATOM 147 O ASP A 11 -1.086 10.650 2.217 1.00 0.50 O ATOM 148 CB ASP A 11 0.357 13.533 2.678 1.00 0.54 C ATOM 149 CG ASP A 11 1.199 13.929 3.875 1.00 0.75 C ATOM 150 OD1 ASP A 11 0.857 13.517 5.004 1.00 1.32 O ATOM 151 OD2 ASP A 11 2.200 14.653 3.685 1.00 1.48 O ATOM 0 H ASP A 11 2.132 13.304 0.967 1.00 0.41 H new ATOM 0 HA ASP A 11 1.203 11.577 2.898 1.00 0.46 H new ATOM 0 HB2 ASP A 11 0.445 14.297 1.906 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.692 13.496 2.971 1.00 0.54 H new ATOM 156 N ASP A 12 -0.740 11.738 0.275 1.00 0.46 N ATOM 157 CA ASP A 12 -1.860 11.106 -0.402 1.00 0.51 C ATOM 158 C ASP A 12 -1.557 9.632 -0.612 1.00 0.48 C ATOM 159 O ASP A 12 -2.393 8.765 -0.359 1.00 0.52 O ATOM 160 CB ASP A 12 -2.129 11.785 -1.746 1.00 0.56 C ATOM 161 CG ASP A 12 -3.080 12.961 -1.620 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.926 13.748 -0.662 1.00 1.41 O ATOM 163 OD2 ASP A 12 -3.977 13.093 -2.478 1.00 1.28 O ATOM 0 H ASP A 12 -0.217 12.399 -0.299 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.752 11.209 0.217 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.186 12.128 -2.172 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.547 11.056 -2.441 1.00 0.56 H new ATOM 168 N ILE A 13 -0.336 9.359 -1.055 1.00 0.43 N ATOM 169 CA ILE A 13 0.102 7.994 -1.281 1.00 0.44 C ATOM 170 C ILE A 13 0.059 7.203 0.020 1.00 0.44 C ATOM 171 O ILE A 13 -0.474 6.101 0.064 1.00 0.47 O ATOM 172 CB ILE A 13 1.531 7.944 -1.855 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.651 8.871 -3.066 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.902 6.517 -2.232 1.00 0.48 C ATOM 175 CD1 ILE A 13 3.015 8.838 -3.719 1.00 0.47 C ATOM 0 H ILE A 13 0.367 10.068 -1.264 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.579 7.551 -2.008 1.00 0.44 H new ATOM 0 HB ILE A 13 2.226 8.288 -1.089 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.898 8.592 -3.803 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.431 9.892 -2.755 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.914 6.499 -2.636 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.853 5.882 -1.347 1.00 0.48 H new ATOM 0 HG23 ILE A 13 1.205 6.146 -2.983 1.00 0.48 H new ATOM 0 HD11 ILE A 13 3.028 9.519 -4.570 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.772 9.146 -2.997 1.00 0.47 H new ATOM 0 HD13 ILE A 13 3.230 7.826 -4.061 1.00 0.47 H new ATOM 187 N ASP A 14 0.616 7.782 1.083 1.00 0.43 N ATOM 188 CA ASP A 14 0.635 7.132 2.391 1.00 0.47 C ATOM 189 C ASP A 14 -0.749 6.610 2.765 1.00 0.51 C ATOM 190 O ASP A 14 -0.877 5.571 3.414 1.00 0.55 O ATOM 191 CB ASP A 14 1.128 8.107 3.461 1.00 0.49 C ATOM 192 CG ASP A 14 1.895 7.412 4.569 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.646 6.461 4.264 1.00 1.26 O ATOM 194 OD2 ASP A 14 1.747 7.819 5.740 1.00 1.29 O ATOM 0 H ASP A 14 1.060 8.700 1.063 1.00 0.43 H new ATOM 0 HA ASP A 14 1.319 6.285 2.335 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.767 8.858 2.997 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.275 8.634 3.889 1.00 0.49 H new ATOM 199 N HIS A 15 -1.780 7.332 2.344 1.00 0.51 N ATOM 200 CA HIS A 15 -3.150 6.936 2.628 1.00 0.56 C ATOM 201 C HIS A 15 -3.555 5.758 1.755 1.00 0.57 C ATOM 202 O HIS A 15 -4.422 4.966 2.123 1.00 0.62 O ATOM 203 CB HIS A 15 -4.101 8.107 2.389 1.00 0.59 C ATOM 204 CG HIS A 15 -5.439 7.930 3.034 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.741 6.865 3.856 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.560 8.688 2.977 1.00 0.98 C ATOM 207 CE1 HIS A 15 -6.988 6.975 4.276 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.507 8.073 3.757 1.00 1.11 N ATOM 0 H HIS A 15 -1.692 8.194 1.805 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.210 6.637 3.674 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.642 9.020 2.767 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.238 8.240 1.316 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.685 9.606 2.421 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.497 6.285 4.932 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.458 8.409 3.911 1.00 1.11 H new ATOM 217 N GLU A 16 -2.922 5.654 0.593 1.00 0.54 N ATOM 218 CA GLU A 16 -3.215 4.578 -0.341 1.00 0.57 C ATOM 219 C GLU A 16 -2.380 3.340 -0.029 1.00 0.57 C ATOM 220 O GLU A 16 -2.849 2.212 -0.171 1.00 0.63 O ATOM 221 CB GLU A 16 -2.952 5.041 -1.776 1.00 0.56 C ATOM 222 CG GLU A 16 -3.463 6.442 -2.067 1.00 0.57 C ATOM 223 CD GLU A 16 -4.896 6.450 -2.559 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.815 6.477 -1.714 1.00 1.99 O ATOM 225 OE2 GLU A 16 -5.101 6.428 -3.792 1.00 2.07 O ATOM 0 H GLU A 16 -2.202 6.303 0.276 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.267 4.314 -0.237 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -1.880 5.007 -1.969 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.422 4.341 -2.467 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.390 7.046 -1.163 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -2.823 6.910 -2.815 1.00 0.57 H new ATOM 232 N ILE A 17 -1.144 3.563 0.403 1.00 0.54 N ATOM 233 CA ILE A 17 -0.238 2.473 0.743 1.00 0.57 C ATOM 234 C ILE A 17 -0.796 1.650 1.898 1.00 0.59 C ATOM 235 O ILE A 17 -0.580 0.442 1.980 1.00 0.62 O ATOM 236 CB ILE A 17 1.156 3.003 1.134 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.666 3.988 0.082 1.00 0.57 C ATOM 238 CG2 ILE A 17 2.136 1.852 1.304 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.614 5.027 0.637 1.00 0.94 C ATOM 0 H ILE A 17 -0.745 4.494 0.526 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.143 1.845 -0.143 1.00 0.57 H new ATOM 0 HB ILE A 17 1.071 3.526 2.086 1.00 0.59 H new ATOM 0 HG12 ILE A 17 2.170 3.433 -0.709 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.815 4.492 -0.375 1.00 0.57 H new ATOM 0 HG21 ILE A 17 3.115 2.245 1.580 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.779 1.183 2.087 1.00 0.66 H new ATOM 0 HG23 ILE A 17 2.217 1.302 0.367 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.935 5.692 -0.165 1.00 0.94 H new ATOM 0 HD12 ILE A 17 2.107 5.607 1.408 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.484 4.532 1.069 1.00 0.94 H new ATOM 251 N ALA A 18 -1.519 2.323 2.787 1.00 0.58 N ATOM 252 CA ALA A 18 -2.118 1.671 3.944 1.00 0.61 C ATOM 253 C ALA A 18 -3.437 1.004 3.575 1.00 0.62 C ATOM 254 O ALA A 18 -3.739 -0.097 4.037 1.00 0.66 O ATOM 255 CB ALA A 18 -2.328 2.681 5.063 1.00 0.65 C ATOM 0 H ALA A 18 -1.704 3.324 2.727 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.435 0.895 4.291 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -2.776 2.183 5.923 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.368 3.109 5.351 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -2.990 3.475 4.717 1.00 0.65 H new ATOM 261 N ASP A 19 -4.221 1.677 2.738 1.00 0.61 N ATOM 262 CA ASP A 19 -5.510 1.148 2.304 1.00 0.64 C ATOM 263 C ASP A 19 -5.346 -0.235 1.681 1.00 0.61 C ATOM 264 O ASP A 19 -6.216 -1.095 1.817 1.00 0.66 O ATOM 265 CB ASP A 19 -6.163 2.098 1.299 1.00 0.66 C ATOM 266 CG ASP A 19 -6.929 3.218 1.975 1.00 1.09 C ATOM 267 OD1 ASP A 19 -6.655 3.492 3.163 1.00 1.64 O ATOM 268 OD2 ASP A 19 -7.801 3.823 1.317 1.00 1.79 O ATOM 0 H ASP A 19 -3.986 2.589 2.347 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.153 1.060 3.180 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.395 2.525 0.654 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.840 1.534 0.657 1.00 0.66 H new ATOM 273 N LEU A 20 -4.222 -0.440 1.002 1.00 0.56 N ATOM 274 CA LEU A 20 -3.940 -1.719 0.361 1.00 0.54 C ATOM 275 C LEU A 20 -3.536 -2.765 1.394 1.00 0.52 C ATOM 276 O LEU A 20 -4.149 -3.828 1.489 1.00 0.50 O ATOM 277 CB LEU A 20 -2.830 -1.560 -0.681 1.00 0.58 C ATOM 278 CG LEU A 20 -3.052 -0.464 -1.731 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.427 -0.868 -3.058 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.537 -0.168 -1.912 1.00 0.62 C ATOM 0 H LEU A 20 -3.492 0.263 0.882 1.00 0.56 H new ATOM 0 HA LEU A 20 -4.849 -2.056 -0.137 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -1.895 -1.354 -0.160 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -2.703 -2.511 -1.198 1.00 0.58 H new ATOM 0 HG LEU A 20 -2.568 0.446 -1.376 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.593 -0.080 -3.793 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.356 -1.020 -2.924 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.884 -1.793 -3.409 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.664 0.613 -2.662 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.051 -1.072 -2.239 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -4.959 0.167 -0.965 1.00 0.62 H new ATOM 292 N GLN A 21 -2.498 -2.456 2.164 1.00 0.54 N ATOM 293 CA GLN A 21 -2.006 -3.369 3.190 1.00 0.55 C ATOM 294 C GLN A 21 -3.135 -3.810 4.116 1.00 0.53 C ATOM 295 O GLN A 21 -3.251 -4.989 4.452 1.00 0.53 O ATOM 296 CB GLN A 21 -0.895 -2.701 4.002 1.00 0.60 C ATOM 297 CG GLN A 21 0.070 -3.688 4.641 1.00 0.87 C ATOM 298 CD GLN A 21 1.443 -3.660 3.998 1.00 1.25 C ATOM 299 OE1 GLN A 21 2.048 -2.598 3.847 1.00 1.99 O ATOM 300 NE2 GLN A 21 1.941 -4.829 3.615 1.00 1.74 N ATOM 0 H GLN A 21 -1.981 -1.580 2.097 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.605 -4.253 2.693 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.336 -2.028 3.352 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.345 -2.089 4.783 1.00 0.60 H new ATOM 0 HG2 GLN A 21 0.165 -3.462 5.703 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.342 -4.694 4.565 1.00 0.87 H new ATOM 0 HE21 GLN A 21 1.404 -5.684 3.760 1.00 1.74 H new ATOM 0 HE22 GLN A 21 2.861 -4.872 3.176 1.00 1.74 H new ATOM 309 N ALA A 22 -3.965 -2.857 4.519 1.00 0.55 N ATOM 310 CA ALA A 22 -5.089 -3.146 5.402 1.00 0.57 C ATOM 311 C ALA A 22 -6.110 -4.038 4.706 1.00 0.55 C ATOM 312 O ALA A 22 -6.800 -4.828 5.351 1.00 0.65 O ATOM 313 CB ALA A 22 -5.743 -1.853 5.865 1.00 0.65 C ATOM 0 H ALA A 22 -3.882 -1.877 4.249 1.00 0.55 H new ATOM 0 HA ALA A 22 -4.710 -3.679 6.274 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -6.580 -2.084 6.523 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.013 -1.249 6.404 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.105 -1.298 4.999 1.00 0.65 H new ATOM 319 N LYS A 23 -6.200 -3.909 3.386 1.00 0.53 N ATOM 320 CA LYS A 23 -7.135 -4.705 2.601 1.00 0.55 C ATOM 321 C LYS A 23 -6.651 -6.146 2.480 1.00 0.50 C ATOM 322 O LYS A 23 -7.450 -7.082 2.472 1.00 0.57 O ATOM 323 CB LYS A 23 -7.316 -4.092 1.211 1.00 0.61 C ATOM 324 CG LYS A 23 -8.763 -3.777 0.869 1.00 0.70 C ATOM 325 CD LYS A 23 -9.105 -2.328 1.176 1.00 0.79 C ATOM 326 CE LYS A 23 -9.076 -1.471 -0.080 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.361 -1.534 -0.827 1.00 1.53 N ATOM 0 H LYS A 23 -5.636 -3.260 2.838 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.096 -4.707 3.115 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.729 -3.176 1.148 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -6.916 -4.779 0.465 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -8.940 -3.978 -0.188 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.423 -4.435 1.434 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -10.094 -2.275 1.631 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.397 -1.932 1.904 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.865 -0.437 0.192 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.264 -1.803 -0.727 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.299 -0.936 -1.676 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.551 -2.517 -1.109 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -11.133 -1.193 -0.219 1.00 1.53 H new ATOM 341 N ARG A 24 -5.335 -6.319 2.387 1.00 0.46 N ATOM 342 CA ARG A 24 -4.746 -7.647 2.265 1.00 0.50 C ATOM 343 C ARG A 24 -4.861 -8.423 3.573 1.00 0.52 C ATOM 344 O ARG A 24 -5.153 -9.618 3.573 1.00 0.60 O ATOM 345 CB ARG A 24 -3.279 -7.545 1.853 1.00 0.61 C ATOM 346 CG ARG A 24 -2.806 -8.750 1.062 1.00 1.15 C ATOM 347 CD ARG A 24 -1.298 -8.903 1.105 1.00 1.41 C ATOM 348 NE ARG A 24 -0.870 -10.140 0.459 1.00 1.70 N ATOM 349 CZ ARG A 24 0.282 -10.754 0.712 1.00 2.38 C ATOM 350 NH1 ARG A 24 1.141 -10.239 1.583 1.00 2.89 N ATOM 351 NH2 ARG A 24 0.575 -11.885 0.087 1.00 2.74 N ATOM 0 H ARG A 24 -4.658 -5.556 2.394 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.298 -8.185 1.494 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.136 -6.645 1.255 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.662 -7.437 2.745 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.273 -9.651 1.460 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.131 -8.654 0.026 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.830 -8.052 0.611 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.959 -8.896 2.141 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.494 -10.560 -0.230 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.919 -9.367 2.063 1.00 2.89 H new ATOM 0 HH12 ARG A 24 2.023 -10.715 1.772 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.082 -12.281 -0.585 1.00 2.74 H new ATOM 0 HH22 ARG A 24 1.458 -12.359 0.278 1.00 2.74 H new ATOM 365 N THR A 25 -4.627 -7.736 4.687 1.00 0.53 N ATOM 366 CA THR A 25 -4.703 -8.365 6.001 1.00 0.60 C ATOM 367 C THR A 25 -6.114 -8.860 6.290 1.00 0.59 C ATOM 368 O THR A 25 -6.320 -10.039 6.574 1.00 0.67 O ATOM 369 CB THR A 25 -4.270 -7.382 7.087 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.496 -6.330 6.536 1.00 0.77 O ATOM 371 CG2 THR A 25 -3.455 -8.024 8.187 1.00 0.81 C ATOM 0 H THR A 25 -4.384 -6.746 4.706 1.00 0.53 H new ATOM 0 HA THR A 25 -4.028 -9.221 6.001 1.00 0.60 H new ATOM 0 HB THR A 25 -5.198 -7.005 7.518 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.075 -5.736 6.014 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.181 -7.270 8.924 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.044 -8.805 8.668 1.00 0.81 H new ATOM 0 HG23 THR A 25 -2.551 -8.461 7.762 1.00 0.81 H new ATOM 379 N ARG A 26 -7.084 -7.953 6.214 1.00 0.56 N ATOM 380 CA ARG A 26 -8.476 -8.307 6.470 1.00 0.61 C ATOM 381 C ARG A 26 -8.868 -9.542 5.667 1.00 0.58 C ATOM 382 O ARG A 26 -9.598 -10.409 6.152 1.00 0.65 O ATOM 383 CB ARG A 26 -9.401 -7.132 6.135 1.00 0.64 C ATOM 384 CG ARG A 26 -9.342 -6.691 4.681 1.00 0.59 C ATOM 385 CD ARG A 26 -10.644 -6.035 4.244 1.00 1.02 C ATOM 386 NE ARG A 26 -11.151 -5.100 5.246 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.416 -4.691 5.305 1.00 1.88 C ATOM 388 NH1 ARG A 26 -13.306 -5.129 4.422 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.795 -3.842 6.250 1.00 2.54 N ATOM 0 H ARG A 26 -6.933 -6.972 5.978 1.00 0.56 H new ATOM 0 HA ARG A 26 -8.583 -8.536 7.530 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.427 -7.410 6.378 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.141 -6.286 6.771 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.517 -5.991 4.545 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.137 -7.553 4.046 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.486 -5.507 3.303 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -11.392 -6.805 4.056 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.497 -4.740 5.941 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -13.022 -5.783 3.693 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -14.274 -4.811 4.473 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -12.117 -3.502 6.932 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -13.765 -3.529 6.295 1.00 2.54 H new ATOM 403 N LEU A 27 -8.360 -9.628 4.443 1.00 0.51 N ATOM 404 CA LEU A 27 -8.639 -10.768 3.587 1.00 0.51 C ATOM 405 C LEU A 27 -7.992 -12.017 4.167 1.00 0.53 C ATOM 406 O LEU A 27 -8.578 -13.099 4.149 1.00 0.59 O ATOM 407 CB LEU A 27 -8.124 -10.515 2.168 1.00 0.47 C ATOM 408 CG LEU A 27 -9.195 -10.109 1.153 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.696 -8.702 1.440 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.650 -10.204 -0.264 1.00 1.35 C ATOM 0 H LEU A 27 -7.754 -8.922 4.024 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.718 -10.914 3.538 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.367 -9.732 2.207 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.630 -11.419 1.811 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.035 -10.798 1.245 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.457 -8.430 0.708 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.126 -8.666 2.441 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.865 -8.000 1.377 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.425 -9.912 -0.972 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.793 -9.539 -0.369 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.341 -11.229 -0.467 1.00 1.35 H new ATOM 422 N VAL A 28 -6.784 -11.854 4.700 1.00 0.54 N ATOM 423 CA VAL A 28 -6.067 -12.967 5.303 1.00 0.62 C ATOM 424 C VAL A 28 -6.827 -13.489 6.510 1.00 0.72 C ATOM 425 O VAL A 28 -6.983 -14.697 6.688 1.00 0.79 O ATOM 426 CB VAL A 28 -4.651 -12.558 5.743 1.00 0.65 C ATOM 427 CG1 VAL A 28 -3.862 -13.773 6.207 1.00 0.77 C ATOM 428 CG2 VAL A 28 -3.925 -11.836 4.615 1.00 0.62 C ATOM 0 H VAL A 28 -6.285 -10.965 4.725 1.00 0.54 H new ATOM 0 HA VAL A 28 -5.985 -13.747 4.546 1.00 0.62 H new ATOM 0 HB VAL A 28 -4.738 -11.870 6.584 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -2.863 -13.463 6.514 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.373 -14.238 7.050 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -3.784 -14.490 5.390 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -2.925 -11.555 4.947 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.849 -12.496 3.751 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.481 -10.940 4.339 1.00 0.62 H new ATOM 438 N GLN A 29 -7.314 -12.564 7.332 1.00 0.76 N ATOM 439 CA GLN A 29 -8.081 -12.924 8.518 1.00 0.87 C ATOM 440 C GLN A 29 -9.241 -13.831 8.130 1.00 0.87 C ATOM 441 O GLN A 29 -9.666 -14.685 8.908 1.00 0.97 O ATOM 442 CB GLN A 29 -8.602 -11.669 9.220 1.00 0.95 C ATOM 443 CG GLN A 29 -7.505 -10.823 9.844 1.00 1.50 C ATOM 444 CD GLN A 29 -7.021 -11.381 11.168 1.00 1.68 C ATOM 445 OE1 GLN A 29 -7.802 -11.921 11.951 1.00 2.23 O ATOM 446 NE2 GLN A 29 -5.724 -11.251 11.426 1.00 2.15 N ATOM 0 H GLN A 29 -7.191 -11.560 7.198 1.00 0.76 H new ATOM 0 HA GLN A 29 -7.428 -13.458 9.208 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.153 -11.063 8.501 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -9.308 -11.963 9.996 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -6.665 -10.757 9.153 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -7.875 -9.809 9.995 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -5.112 -10.796 10.748 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.340 -11.606 12.302 1.00 2.15 H new ATOM 455 N GLN A 30 -9.739 -13.644 6.909 1.00 0.83 N ATOM 456 CA GLN A 30 -10.836 -14.453 6.401 1.00 0.93 C ATOM 457 C GLN A 30 -10.346 -15.857 6.059 1.00 0.96 C ATOM 458 O GLN A 30 -11.096 -16.827 6.160 1.00 1.09 O ATOM 459 CB GLN A 30 -11.458 -13.799 5.167 1.00 0.98 C ATOM 460 CG GLN A 30 -12.035 -12.419 5.435 1.00 1.46 C ATOM 461 CD GLN A 30 -13.321 -12.470 6.236 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.318 -12.274 7.452 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.431 -12.735 5.557 1.00 2.29 N ATOM 0 H GLN A 30 -9.398 -12.938 6.256 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.597 -14.526 7.178 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -10.701 -13.722 4.387 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -12.247 -14.445 4.783 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -11.300 -11.820 5.973 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -12.222 -11.917 4.486 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.388 -12.891 4.550 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -15.327 -12.783 6.043 1.00 2.29 H new ATOM 472 N HIS A 31 -9.077 -15.962 5.662 1.00 0.87 N ATOM 473 CA HIS A 31 -8.494 -17.256 5.318 1.00 0.98 C ATOM 474 C HIS A 31 -7.083 -17.390 5.892 1.00 1.03 C ATOM 475 O HIS A 31 -6.101 -17.447 5.151 1.00 1.06 O ATOM 476 CB HIS A 31 -8.467 -17.458 3.800 1.00 0.99 C ATOM 477 CG HIS A 31 -7.549 -16.522 3.082 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.803 -15.178 2.953 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.373 -16.742 2.446 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.830 -14.611 2.268 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.945 -15.537 1.950 1.00 2.47 N ATOM 0 H HIS A 31 -8.439 -15.172 5.572 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.122 -18.030 5.759 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -8.166 -18.483 3.585 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.477 -17.333 3.408 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.618 -14.694 3.329 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.866 -17.691 2.348 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.767 -13.564 2.010 1.00 2.19 H new ATOM 490 N PRO A 32 -6.963 -17.444 7.230 1.00 1.13 N ATOM 491 CA PRO A 32 -5.669 -17.571 7.902 1.00 1.29 C ATOM 492 C PRO A 32 -5.119 -18.994 7.848 1.00 1.57 C ATOM 493 O PRO A 32 -3.935 -19.220 8.103 1.00 2.23 O ATOM 494 CB PRO A 32 -5.987 -17.171 9.340 1.00 1.44 C ATOM 495 CG PRO A 32 -7.414 -17.558 9.530 1.00 1.39 C ATOM 496 CD PRO A 32 -8.082 -17.384 8.191 1.00 1.19 C ATOM 0 HA PRO A 32 -4.900 -16.958 7.432 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.338 -17.687 10.048 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -5.842 -16.102 9.496 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.495 -18.589 9.873 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -7.889 -16.932 10.286 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.813 -18.170 8.003 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.612 -16.434 8.129 1.00 1.19 H new ATOM 504 N ARG A 33 -5.981 -19.951 7.517 1.00 1.74 N ATOM 505 CA ARG A 33 -5.574 -21.349 7.431 1.00 2.03 C ATOM 506 C ARG A 33 -4.582 -21.559 6.293 1.00 3.00 C ATOM 507 O ARG A 33 -4.607 -22.586 5.614 1.00 3.75 O ATOM 508 CB ARG A 33 -6.797 -22.245 7.229 1.00 1.88 C ATOM 509 CG ARG A 33 -7.673 -22.368 8.465 1.00 2.44 C ATOM 510 CD ARG A 33 -8.549 -21.139 8.651 1.00 3.16 C ATOM 511 NE ARG A 33 -9.657 -21.390 9.567 1.00 3.92 N ATOM 512 CZ ARG A 33 -9.529 -21.437 10.892 1.00 4.70 C ATOM 513 NH1 ARG A 33 -8.342 -21.249 11.457 1.00 4.92 N ATOM 514 NH2 ARG A 33 -10.589 -21.671 11.652 1.00 5.58 N ATOM 0 H ARG A 33 -6.964 -19.784 7.304 1.00 1.74 H new ATOM 0 HA ARG A 33 -5.085 -21.617 8.368 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -7.395 -21.849 6.408 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -6.463 -23.239 6.930 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -8.301 -23.255 8.380 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -7.045 -22.505 9.345 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -7.943 -20.317 9.032 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -8.942 -20.825 7.684 1.00 3.16 H new ATOM 0 HE ARG A 33 -10.584 -21.538 9.169 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -7.524 -21.068 10.876 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -8.249 -21.286 12.472 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -11.503 -21.815 11.222 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -10.491 -21.707 12.667 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -17.664 -22.445 -0.349 1.00 5.15 N ATOM 530 CA CYS B 1 -17.659 -21.609 -1.544 1.00 4.44 C ATOM 531 C CYS B 1 -16.252 -21.103 -1.847 1.00 3.68 C ATOM 532 O CYS B 1 -15.859 -20.026 -1.399 1.00 4.02 O ATOM 533 CB CYS B 1 -18.612 -20.426 -1.367 1.00 4.47 C ATOM 534 SG CYS B 1 -19.498 -19.962 -2.873 1.00 5.51 S ATOM 0 H1 CYS B 1 -18.631 -22.778 -0.162 1.00 5.15 H new ATOM 0 H2 CYS B 1 -17.039 -23.263 -0.495 1.00 5.15 H new ATOM 0 H3 CYS B 1 -17.326 -21.891 0.464 1.00 5.15 H new ATOM 0 HA CYS B 1 -17.996 -22.216 -2.384 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -19.338 -20.671 -0.592 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -18.044 -19.566 -1.012 1.00 4.47 H new ATOM 0 HG CYS B 1 -20.281 -18.954 -2.623 1.00 5.51 H new ATOM 540 N GLY B 2 -15.499 -21.887 -2.612 1.00 3.11 N ATOM 541 CA GLY B 2 -14.145 -21.501 -2.962 1.00 2.73 C ATOM 542 C GLY B 2 -13.139 -21.882 -1.894 1.00 2.20 C ATOM 543 O GLY B 2 -13.507 -22.141 -0.749 1.00 2.81 O ATOM 0 H GLY B 2 -15.802 -22.782 -2.995 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.867 -21.975 -3.904 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -14.108 -20.424 -3.124 1.00 2.73 H new ATOM 547 N GLY B 3 -11.863 -21.912 -2.270 1.00 1.66 N ATOM 548 CA GLY B 3 -10.819 -22.264 -1.325 1.00 1.45 C ATOM 549 C GLY B 3 -9.805 -21.151 -1.143 1.00 1.30 C ATOM 550 O GLY B 3 -9.913 -20.350 -0.216 1.00 1.48 O ATOM 0 H GLY B 3 -11.534 -21.699 -3.212 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -11.270 -22.502 -0.362 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -10.309 -23.164 -1.669 1.00 1.45 H new ATOM 554 N ASP B 4 -8.817 -21.104 -2.032 1.00 1.06 N ATOM 555 CA ASP B 4 -7.778 -20.083 -1.966 1.00 1.10 C ATOM 556 C ASP B 4 -8.128 -18.877 -2.833 1.00 1.01 C ATOM 557 O ASP B 4 -7.275 -18.035 -3.112 1.00 1.22 O ATOM 558 CB ASP B 4 -6.443 -20.659 -2.419 1.00 1.23 C ATOM 559 CG ASP B 4 -5.992 -21.826 -1.562 1.00 1.84 C ATOM 560 OD1 ASP B 4 -6.259 -21.804 -0.341 1.00 2.34 O ATOM 561 OD2 ASP B 4 -5.373 -22.763 -2.110 1.00 2.59 O ATOM 0 H ASP B 4 -8.715 -21.761 -2.806 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.704 -19.755 -0.929 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.525 -20.985 -3.456 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.685 -19.877 -2.389 1.00 1.23 H new ATOM 566 N ASN B 5 -9.386 -18.793 -3.250 1.00 0.92 N ATOM 567 CA ASN B 5 -9.845 -17.682 -4.078 1.00 1.02 C ATOM 568 C ASN B 5 -9.498 -16.357 -3.411 1.00 0.99 C ATOM 569 O ASN B 5 -9.303 -15.339 -4.077 1.00 1.39 O ATOM 570 CB ASN B 5 -11.354 -17.775 -4.311 1.00 1.19 C ATOM 571 CG ASN B 5 -11.694 -18.428 -5.637 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.274 -19.512 -5.677 1.00 2.22 O ATOM 573 ND2 ASN B 5 -11.331 -17.769 -6.732 1.00 1.86 N ATOM 0 H ASN B 5 -10.107 -19.480 -3.029 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.342 -17.736 -5.044 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.810 -18.344 -3.501 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.786 -16.775 -4.280 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.532 -18.160 -7.653 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.852 -16.872 -6.652 1.00 1.86 H new ATOM 580 N ILE B 6 -9.411 -16.391 -2.087 1.00 0.68 N ATOM 581 CA ILE B 6 -9.075 -15.214 -1.305 1.00 0.63 C ATOM 582 C ILE B 6 -7.566 -15.003 -1.290 1.00 0.56 C ATOM 583 O ILE B 6 -7.077 -13.888 -1.471 1.00 0.53 O ATOM 584 CB ILE B 6 -9.577 -15.356 0.141 1.00 0.67 C ATOM 585 CG1 ILE B 6 -11.026 -15.847 0.157 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.452 -14.036 0.878 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.544 -16.157 1.545 1.00 1.57 C ATOM 0 H ILE B 6 -9.571 -17.231 -1.531 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.561 -14.355 -1.768 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.958 -16.094 0.652 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.663 -15.089 -0.299 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.105 -16.742 -0.460 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.812 -14.154 1.900 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.407 -13.726 0.895 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -10.047 -13.278 0.369 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.577 -16.499 1.480 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.931 -16.937 1.996 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -11.498 -15.258 2.160 1.00 1.57 H new ATOM 599 N GLU B 7 -6.837 -16.092 -1.075 1.00 0.60 N ATOM 600 CA GLU B 7 -5.379 -16.052 -1.038 1.00 0.59 C ATOM 601 C GLU B 7 -4.819 -15.498 -2.343 1.00 0.57 C ATOM 602 O GLU B 7 -3.767 -14.859 -2.357 1.00 0.53 O ATOM 603 CB GLU B 7 -4.817 -17.452 -0.780 1.00 0.75 C ATOM 604 CG GLU B 7 -3.646 -17.467 0.190 1.00 0.78 C ATOM 605 CD GLU B 7 -2.674 -18.597 -0.088 1.00 1.29 C ATOM 606 OE1 GLU B 7 -2.889 -19.709 0.439 1.00 1.93 O ATOM 607 OE2 GLU B 7 -1.696 -18.370 -0.833 1.00 1.94 O ATOM 0 H GLU B 7 -7.234 -17.019 -0.923 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.077 -15.392 -0.225 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.611 -18.087 -0.388 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.499 -17.887 -1.727 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -3.118 -16.515 0.131 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -4.024 -17.559 1.208 1.00 0.78 H new ATOM 614 N GLN B 8 -5.532 -15.737 -3.436 1.00 0.64 N ATOM 615 CA GLN B 8 -5.109 -15.251 -4.741 1.00 0.69 C ATOM 616 C GLN B 8 -5.426 -13.768 -4.878 1.00 0.63 C ATOM 617 O GLN B 8 -4.640 -12.997 -5.432 1.00 0.67 O ATOM 618 CB GLN B 8 -5.801 -16.041 -5.853 1.00 0.82 C ATOM 619 CG GLN B 8 -5.406 -15.599 -7.252 1.00 1.18 C ATOM 620 CD GLN B 8 -3.905 -15.602 -7.463 1.00 1.54 C ATOM 621 OE1 GLN B 8 -3.333 -16.589 -7.928 1.00 2.16 O ATOM 622 NE2 GLN B 8 -3.257 -14.494 -7.121 1.00 2.22 N ATOM 0 H GLN B 8 -6.405 -16.264 -3.444 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.032 -15.391 -4.831 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.566 -17.099 -5.736 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.880 -15.940 -5.741 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.873 -16.259 -7.983 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -5.793 -14.596 -7.435 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -3.771 -13.700 -6.739 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -2.246 -14.437 -7.240 1.00 2.22 H new ATOM 631 N LYS B 9 -6.584 -13.376 -4.359 1.00 0.57 N ATOM 632 CA LYS B 9 -7.014 -11.986 -4.410 1.00 0.58 C ATOM 633 C LYS B 9 -6.027 -11.089 -3.673 1.00 0.50 C ATOM 634 O LYS B 9 -5.717 -9.988 -4.126 1.00 0.59 O ATOM 635 CB LYS B 9 -8.410 -11.838 -3.802 1.00 0.64 C ATOM 636 CG LYS B 9 -9.532 -11.945 -4.822 1.00 1.01 C ATOM 637 CD LYS B 9 -10.846 -11.431 -4.259 1.00 1.26 C ATOM 638 CE LYS B 9 -11.616 -12.532 -3.548 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.966 -12.076 -3.115 1.00 2.37 N ATOM 0 H LYS B 9 -7.242 -14.004 -3.897 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.049 -11.679 -5.455 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.549 -12.605 -3.040 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.478 -10.873 -3.299 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.270 -11.376 -5.714 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.648 -12.984 -5.129 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -10.651 -10.615 -3.564 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.454 -11.023 -5.066 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.719 -13.390 -4.212 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.050 -12.867 -2.679 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.458 -12.856 -2.634 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -12.868 -11.273 -2.461 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -13.516 -11.780 -3.947 1.00 2.37 H new ATOM 653 N ILE B 10 -5.533 -11.569 -2.535 1.00 0.41 N ATOM 654 CA ILE B 10 -4.581 -10.801 -1.744 1.00 0.38 C ATOM 655 C ILE B 10 -3.238 -10.696 -2.449 1.00 0.36 C ATOM 656 O ILE B 10 -2.627 -9.629 -2.473 1.00 0.37 O ATOM 657 CB ILE B 10 -4.357 -11.404 -0.347 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.083 -12.907 -0.431 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.550 -11.123 0.553 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.599 -13.502 0.875 1.00 1.11 C ATOM 0 H ILE B 10 -5.775 -12.479 -2.144 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.019 -9.809 -1.629 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.477 -10.929 0.088 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.995 -13.419 -0.740 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.337 -13.091 -1.204 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.374 -11.557 1.537 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.686 -10.046 0.651 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.446 -11.564 0.117 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.424 -14.570 0.745 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.671 -13.016 1.174 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.354 -13.349 1.646 1.00 1.11 H new ATOM 672 N ASP B 11 -2.780 -11.803 -3.031 1.00 0.39 N ATOM 673 CA ASP B 11 -1.506 -11.812 -3.743 1.00 0.47 C ATOM 674 C ASP B 11 -1.444 -10.634 -4.703 1.00 0.48 C ATOM 675 O ASP B 11 -0.394 -10.017 -4.901 1.00 0.52 O ATOM 676 CB ASP B 11 -1.328 -13.125 -4.508 1.00 0.58 C ATOM 677 CG ASP B 11 0.077 -13.291 -5.052 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.378 -12.701 -6.111 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.878 -14.011 -4.419 1.00 1.45 O ATOM 0 H ASP B 11 -3.269 -12.698 -3.023 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.698 -11.725 -3.017 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.560 -13.961 -3.848 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -2.040 -13.162 -5.332 1.00 0.58 H new ATOM 684 N ASP B 12 -2.598 -10.308 -5.272 1.00 0.48 N ATOM 685 CA ASP B 12 -2.701 -9.185 -6.190 1.00 0.53 C ATOM 686 C ASP B 12 -2.485 -7.891 -5.425 1.00 0.49 C ATOM 687 O ASP B 12 -1.757 -7.001 -5.867 1.00 0.54 O ATOM 688 CB ASP B 12 -4.070 -9.174 -6.874 1.00 0.60 C ATOM 689 CG ASP B 12 -4.051 -9.882 -8.215 1.00 0.75 C ATOM 690 OD1 ASP B 12 -4.218 -11.119 -8.236 1.00 1.32 O ATOM 691 OD2 ASP B 12 -3.872 -9.198 -9.245 1.00 1.44 O ATOM 0 H ASP B 12 -3.474 -10.806 -5.113 1.00 0.48 H new ATOM 0 HA ASP B 12 -1.937 -9.282 -6.961 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.802 -9.653 -6.224 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.395 -8.143 -7.015 1.00 0.60 H new ATOM 696 N ILE B 13 -3.111 -7.807 -4.257 1.00 0.43 N ATOM 697 CA ILE B 13 -2.980 -6.637 -3.408 1.00 0.44 C ATOM 698 C ILE B 13 -1.529 -6.446 -2.991 1.00 0.42 C ATOM 699 O ILE B 13 -0.986 -5.356 -3.107 1.00 0.45 O ATOM 700 CB ILE B 13 -3.855 -6.747 -2.144 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.274 -7.188 -2.511 1.00 0.46 C ATOM 702 CG2 ILE B 13 -3.878 -5.419 -1.400 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.234 -7.188 -1.340 1.00 0.50 C ATOM 0 H ILE B 13 -3.714 -8.538 -3.879 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.317 -5.779 -3.989 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.424 -7.502 -1.486 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -5.661 -6.527 -3.287 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.235 -8.191 -2.937 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.500 -5.512 -0.510 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -2.863 -5.148 -1.108 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.287 -4.645 -2.049 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.219 -7.511 -1.677 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -5.871 -7.871 -0.572 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.304 -6.182 -0.927 1.00 0.50 H new ATOM 715 N ASP B 14 -0.903 -7.520 -2.514 1.00 0.40 N ATOM 716 CA ASP B 14 0.493 -7.470 -2.084 1.00 0.43 C ATOM 717 C ASP B 14 1.365 -6.774 -3.123 1.00 0.46 C ATOM 718 O ASP B 14 2.320 -6.076 -2.780 1.00 0.48 O ATOM 719 CB ASP B 14 1.020 -8.883 -1.830 1.00 0.44 C ATOM 720 CG ASP B 14 2.105 -8.913 -0.772 1.00 0.51 C ATOM 721 OD1 ASP B 14 2.069 -8.061 0.141 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.992 -9.788 -0.855 1.00 1.32 O ATOM 0 H ASP B 14 -1.341 -8.436 -2.415 1.00 0.40 H new ATOM 0 HA ASP B 14 0.537 -6.896 -1.158 1.00 0.43 H new ATOM 0 HB2 ASP B 14 0.196 -9.525 -1.520 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.412 -9.295 -2.760 1.00 0.44 H new ATOM 727 N HIS B 15 1.024 -6.961 -4.393 1.00 0.47 N ATOM 728 CA HIS B 15 1.774 -6.344 -5.477 1.00 0.52 C ATOM 729 C HIS B 15 1.469 -4.855 -5.554 1.00 0.53 C ATOM 730 O HIS B 15 2.298 -4.060 -5.998 1.00 0.56 O ATOM 731 CB HIS B 15 1.433 -7.014 -6.807 1.00 0.56 C ATOM 732 CG HIS B 15 2.440 -6.749 -7.884 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.619 -6.072 -7.661 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.437 -7.076 -9.199 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.299 -5.992 -8.791 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.605 -6.594 -9.739 1.00 1.19 N ATOM 0 H HIS B 15 0.236 -7.533 -4.695 1.00 0.47 H new ATOM 0 HA HIS B 15 2.837 -6.475 -5.277 1.00 0.52 H new ATOM 0 HB2 HIS B 15 1.352 -8.090 -6.653 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.456 -6.665 -7.140 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.662 -7.614 -9.724 1.00 1.01 H new ATOM 0 HE1 HIS B 15 5.260 -5.515 -8.918 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.890 -6.686 -10.714 1.00 1.19 H new ATOM 745 N GLU B 16 0.270 -4.488 -5.122 1.00 0.52 N ATOM 746 CA GLU B 16 -0.154 -3.097 -5.143 1.00 0.56 C ATOM 747 C GLU B 16 0.306 -2.365 -3.886 1.00 0.57 C ATOM 748 O GLU B 16 0.702 -1.202 -3.942 1.00 0.64 O ATOM 749 CB GLU B 16 -1.677 -3.011 -5.274 1.00 0.58 C ATOM 750 CG GLU B 16 -2.257 -3.994 -6.279 1.00 0.59 C ATOM 751 CD GLU B 16 -2.300 -3.433 -7.686 1.00 1.29 C ATOM 752 OE1 GLU B 16 -1.375 -2.677 -8.052 1.00 1.99 O ATOM 753 OE2 GLU B 16 -3.258 -3.749 -8.422 1.00 2.03 O ATOM 0 H GLU B 16 -0.426 -5.136 -4.753 1.00 0.52 H new ATOM 0 HA GLU B 16 0.306 -2.615 -6.006 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.128 -3.193 -4.299 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -1.952 -1.998 -5.569 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -1.661 -4.907 -6.274 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -3.266 -4.270 -5.971 1.00 0.59 H new ATOM 760 N ILE B 17 0.256 -3.059 -2.755 1.00 0.53 N ATOM 761 CA ILE B 17 0.666 -2.489 -1.479 1.00 0.57 C ATOM 762 C ILE B 17 2.124 -2.047 -1.532 1.00 0.57 C ATOM 763 O ILE B 17 2.514 -1.067 -0.896 1.00 0.61 O ATOM 764 CB ILE B 17 0.494 -3.505 -0.330 1.00 0.58 C ATOM 765 CG1 ILE B 17 -0.903 -4.128 -0.370 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.736 -2.833 1.014 1.00 0.66 C ATOM 767 CD1 ILE B 17 -0.961 -5.516 0.229 1.00 1.06 C ATOM 0 H ILE B 17 -0.067 -4.025 -2.697 1.00 0.53 H new ATOM 0 HA ILE B 17 0.027 -1.627 -1.290 1.00 0.57 H new ATOM 0 HB ILE B 17 1.230 -4.299 -0.459 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -1.597 -3.480 0.166 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.243 -4.173 -1.405 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.611 -3.563 1.814 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.749 -2.433 1.043 1.00 0.66 H new ATOM 0 HG23 ILE B 17 0.021 -2.021 1.149 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -1.981 -5.897 0.167 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.292 -6.178 -0.321 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -0.652 -5.475 1.273 1.00 1.06 H new ATOM 779 N ALA B 18 2.922 -2.784 -2.297 1.00 0.53 N ATOM 780 CA ALA B 18 4.340 -2.484 -2.442 1.00 0.55 C ATOM 781 C ALA B 18 4.567 -1.351 -3.437 1.00 0.55 C ATOM 782 O ALA B 18 5.391 -0.465 -3.207 1.00 0.57 O ATOM 783 CB ALA B 18 5.096 -3.731 -2.877 1.00 0.58 C ATOM 0 H ALA B 18 2.608 -3.597 -2.828 1.00 0.53 H new ATOM 0 HA ALA B 18 4.719 -2.158 -1.473 1.00 0.55 H new ATOM 0 HB1 ALA B 18 6.155 -3.496 -2.983 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.971 -4.512 -2.128 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.705 -4.079 -3.833 1.00 0.58 H new ATOM 789 N ASP B 19 3.833 -1.384 -4.545 1.00 0.55 N ATOM 790 CA ASP B 19 3.957 -0.360 -5.577 1.00 0.57 C ATOM 791 C ASP B 19 3.769 1.037 -4.990 1.00 0.55 C ATOM 792 O ASP B 19 4.494 1.970 -5.336 1.00 0.57 O ATOM 793 CB ASP B 19 2.934 -0.600 -6.689 1.00 0.61 C ATOM 794 CG ASP B 19 3.495 -0.297 -8.065 1.00 0.93 C ATOM 795 OD1 ASP B 19 4.675 -0.623 -8.311 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.753 0.267 -8.897 1.00 1.58 O ATOM 0 H ASP B 19 3.146 -2.109 -4.751 1.00 0.55 H new ATOM 0 HA ASP B 19 4.962 -0.424 -5.995 1.00 0.57 H new ATOM 0 HB2 ASP B 19 2.601 -1.637 -6.655 1.00 0.61 H new ATOM 0 HB3 ASP B 19 2.056 0.022 -6.512 1.00 0.61 H new ATOM 801 N LEU B 20 2.792 1.173 -4.100 1.00 0.52 N ATOM 802 CA LEU B 20 2.510 2.456 -3.467 1.00 0.52 C ATOM 803 C LEU B 20 3.649 2.871 -2.541 1.00 0.50 C ATOM 804 O LEU B 20 4.182 3.976 -2.654 1.00 0.50 O ATOM 805 CB LEU B 20 1.199 2.389 -2.680 1.00 0.57 C ATOM 806 CG LEU B 20 -0.005 1.842 -3.452 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.300 2.248 -2.766 1.00 0.63 C ATOM 808 CD2 LEU B 20 0.006 2.331 -4.895 1.00 0.62 C ATOM 0 H LEU B 20 2.183 0.412 -3.801 1.00 0.52 H new ATOM 0 HA LEU B 20 2.414 3.203 -4.255 1.00 0.52 H new ATOM 0 HB2 LEU B 20 1.356 1.768 -1.798 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.957 3.391 -2.325 1.00 0.57 H new ATOM 0 HG LEU B 20 0.062 0.754 -3.461 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.148 1.852 -3.326 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.316 1.848 -1.752 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.366 3.335 -2.728 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -0.859 1.929 -5.422 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.034 3.420 -4.910 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.919 1.994 -5.386 1.00 0.62 H new ATOM 820 N GLN B 21 4.012 1.983 -1.621 1.00 0.51 N ATOM 821 CA GLN B 21 5.084 2.261 -0.669 1.00 0.52 C ATOM 822 C GLN B 21 6.347 2.740 -1.380 1.00 0.51 C ATOM 823 O GLN B 21 7.093 3.564 -0.850 1.00 0.51 O ATOM 824 CB GLN B 21 5.392 1.012 0.160 1.00 0.56 C ATOM 825 CG GLN B 21 5.689 1.309 1.621 1.00 0.88 C ATOM 826 CD GLN B 21 7.162 1.173 1.955 1.00 1.31 C ATOM 827 OE1 GLN B 21 7.559 0.293 2.719 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.981 2.049 1.384 1.00 1.93 N ATOM 0 H GLN B 21 3.580 1.065 -1.514 1.00 0.51 H new ATOM 0 HA GLN B 21 4.745 3.058 -0.007 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.544 0.329 0.102 1.00 0.56 H new ATOM 0 HB3 GLN B 21 6.247 0.497 -0.278 1.00 0.56 H new ATOM 0 HG2 GLN B 21 5.358 2.321 1.857 1.00 0.88 H new ATOM 0 HG3 GLN B 21 5.113 0.630 2.250 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.608 2.762 0.757 1.00 1.93 H new ATOM 0 HE22 GLN B 21 8.983 2.009 1.572 1.00 1.93 H new ATOM 837 N ALA B 22 6.581 2.219 -2.578 1.00 0.52 N ATOM 838 CA ALA B 22 7.754 2.595 -3.359 1.00 0.55 C ATOM 839 C ALA B 22 7.603 4.000 -3.933 1.00 0.54 C ATOM 840 O ALA B 22 8.590 4.708 -4.135 1.00 0.62 O ATOM 841 CB ALA B 22 7.989 1.590 -4.476 1.00 0.60 C ATOM 0 H ALA B 22 5.975 1.535 -3.030 1.00 0.52 H new ATOM 0 HA ALA B 22 8.618 2.592 -2.695 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.868 1.883 -5.051 1.00 0.60 H new ATOM 0 HB2 ALA B 22 8.149 0.601 -4.048 1.00 0.60 H new ATOM 0 HB3 ALA B 22 7.119 1.565 -5.132 1.00 0.60 H new ATOM 847 N LYS B 23 6.363 4.397 -4.196 1.00 0.54 N ATOM 848 CA LYS B 23 6.084 5.717 -4.750 1.00 0.55 C ATOM 849 C LYS B 23 6.305 6.809 -3.707 1.00 0.49 C ATOM 850 O LYS B 23 6.710 7.924 -4.038 1.00 0.55 O ATOM 851 CB LYS B 23 4.649 5.780 -5.273 1.00 0.59 C ATOM 852 CG LYS B 23 4.504 5.298 -6.708 1.00 0.69 C ATOM 853 CD LYS B 23 3.346 4.323 -6.857 1.00 0.76 C ATOM 854 CE LYS B 23 2.035 5.049 -7.108 1.00 0.96 C ATOM 855 NZ LYS B 23 1.531 5.726 -5.881 1.00 1.43 N ATOM 0 H LYS B 23 5.535 3.824 -4.035 1.00 0.54 H new ATOM 0 HA LYS B 23 6.774 5.887 -5.576 1.00 0.55 H new ATOM 0 HB2 LYS B 23 4.009 5.176 -4.629 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.291 6.807 -5.205 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.347 6.153 -7.366 1.00 0.69 H new ATOM 0 HG3 LYS B 23 5.429 4.817 -7.026 1.00 0.69 H new ATOM 0 HD2 LYS B 23 3.548 3.640 -7.682 1.00 0.76 H new ATOM 0 HD3 LYS B 23 3.261 3.717 -5.955 1.00 0.76 H new ATOM 0 HE2 LYS B 23 2.174 5.787 -7.898 1.00 0.96 H new ATOM 0 HE3 LYS B 23 1.289 4.338 -7.463 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 0.539 6.004 -6.021 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 1.598 5.075 -5.073 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 2.104 6.573 -5.692 1.00 1.43 H new ATOM 869 N ARG B 24 6.032 6.486 -2.447 1.00 0.45 N ATOM 870 CA ARG B 24 6.199 7.446 -1.360 1.00 0.47 C ATOM 871 C ARG B 24 7.674 7.750 -1.112 1.00 0.52 C ATOM 872 O ARG B 24 8.059 8.906 -0.939 1.00 0.60 O ATOM 873 CB ARG B 24 5.557 6.911 -0.080 1.00 0.55 C ATOM 874 CG ARG B 24 4.289 7.646 0.315 1.00 1.05 C ATOM 875 CD ARG B 24 4.037 7.564 1.812 1.00 1.09 C ATOM 876 NE ARG B 24 4.048 8.882 2.442 1.00 1.29 N ATOM 877 CZ ARG B 24 4.354 9.094 3.721 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.661 8.077 4.517 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.348 10.327 4.206 1.00 2.12 N ATOM 0 H ARG B 24 5.695 5.569 -2.153 1.00 0.45 H new ATOM 0 HA ARG B 24 5.704 8.372 -1.652 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.328 5.854 -0.212 1.00 0.55 H new ATOM 0 HB3 ARG B 24 6.277 6.982 0.735 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.365 8.691 0.015 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.440 7.222 -0.221 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.075 7.084 1.992 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.798 6.935 2.274 1.00 1.09 H new ATOM 0 HE ARG B 24 3.807 9.689 1.867 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.664 7.125 4.150 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.894 8.247 5.495 1.00 2.28 H new ATOM 0 HH21 ARG B 24 4.109 11.112 3.600 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.582 10.491 5.185 1.00 2.12 H new ATOM 893 N THR B 25 8.494 6.705 -1.089 1.00 0.52 N ATOM 894 CA THR B 25 9.925 6.856 -0.851 1.00 0.60 C ATOM 895 C THR B 25 10.585 7.681 -1.949 1.00 0.61 C ATOM 896 O THR B 25 11.239 8.687 -1.676 1.00 0.67 O ATOM 897 CB THR B 25 10.597 5.487 -0.767 1.00 0.64 C ATOM 898 OG1 THR B 25 9.643 4.473 -0.507 1.00 0.70 O ATOM 899 CG2 THR B 25 11.659 5.407 0.307 1.00 0.75 C ATOM 0 H THR B 25 8.191 5.742 -1.233 1.00 0.52 H new ATOM 0 HA THR B 25 10.049 7.380 0.097 1.00 0.60 H new ATOM 0 HB THR B 25 11.073 5.340 -1.737 1.00 0.64 H new ATOM 0 HG1 THR B 25 10.094 3.604 -0.459 1.00 0.70 H new ATOM 0 HG21 THR B 25 12.096 4.408 0.313 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.437 6.143 0.105 1.00 0.75 H new ATOM 0 HG23 THR B 25 11.210 5.612 1.279 1.00 0.75 H new ATOM 907 N ARG B 26 10.414 7.247 -3.195 1.00 0.61 N ATOM 908 CA ARG B 26 11.001 7.946 -4.333 1.00 0.68 C ATOM 909 C ARG B 26 10.691 9.437 -4.264 1.00 0.64 C ATOM 910 O ARG B 26 11.552 10.277 -4.535 1.00 0.71 O ATOM 911 CB ARG B 26 10.487 7.354 -5.649 1.00 0.72 C ATOM 912 CG ARG B 26 9.010 7.614 -5.906 1.00 0.67 C ATOM 913 CD ARG B 26 8.590 7.137 -7.289 1.00 1.10 C ATOM 914 NE ARG B 26 8.153 8.241 -8.142 1.00 1.56 N ATOM 915 CZ ARG B 26 8.971 8.960 -8.908 1.00 2.14 C ATOM 916 NH1 ARG B 26 10.272 8.701 -8.934 1.00 2.60 N ATOM 917 NH2 ARG B 26 8.485 9.945 -9.651 1.00 2.89 N ATOM 0 H ARG B 26 9.875 6.417 -3.441 1.00 0.61 H new ATOM 0 HA ARG B 26 12.083 7.817 -4.294 1.00 0.68 H new ATOM 0 HB2 ARG B 26 11.068 7.768 -6.474 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.661 6.278 -5.645 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.413 7.106 -5.148 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.806 8.680 -5.811 1.00 0.67 H new ATOM 0 HD2 ARG B 26 9.425 6.622 -7.763 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.782 6.412 -7.192 1.00 1.10 H new ATOM 0 HE ARG B 26 7.160 8.475 -8.151 1.00 1.56 H new ATOM 0 HH11 ARG B 26 10.653 7.946 -8.364 1.00 2.60 H new ATOM 0 HH12 ARG B 26 10.891 9.257 -9.524 1.00 2.60 H new ATOM 0 HH21 ARG B 26 7.486 10.151 -9.635 1.00 2.89 H new ATOM 0 HH22 ARG B 26 9.110 10.497 -10.238 1.00 2.89 H new ATOM 931 N LEU B 27 9.463 9.757 -3.880 1.00 0.57 N ATOM 932 CA LEU B 27 9.047 11.145 -3.755 1.00 0.55 C ATOM 933 C LEU B 27 9.818 11.823 -2.631 1.00 0.56 C ATOM 934 O LEU B 27 10.208 12.985 -2.746 1.00 0.61 O ATOM 935 CB LEU B 27 7.542 11.236 -3.490 1.00 0.51 C ATOM 936 CG LEU B 27 6.670 11.329 -4.743 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.296 10.733 -4.482 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.548 12.775 -5.200 1.00 1.34 C ATOM 0 H LEU B 27 8.740 9.075 -3.650 1.00 0.57 H new ATOM 0 HA LEU B 27 9.264 11.656 -4.693 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.236 10.361 -2.916 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.350 12.109 -2.866 1.00 0.51 H new ATOM 0 HG LEU B 27 7.147 10.756 -5.538 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.689 10.808 -5.385 1.00 1.38 H new ATOM 0 HD12 LEU B 27 5.401 9.685 -4.202 1.00 1.38 H new ATOM 0 HD13 LEU B 27 4.811 11.278 -3.672 1.00 1.38 H new ATOM 0 HD21 LEU B 27 5.924 12.823 -6.093 1.00 1.34 H new ATOM 0 HD22 LEU B 27 6.094 13.370 -4.408 1.00 1.34 H new ATOM 0 HD23 LEU B 27 7.538 13.169 -5.428 1.00 1.34 H new ATOM 950 N VAL B 28 10.047 11.086 -1.547 1.00 0.57 N ATOM 951 CA VAL B 28 10.785 11.620 -0.411 1.00 0.63 C ATOM 952 C VAL B 28 12.202 11.985 -0.823 1.00 0.73 C ATOM 953 O VAL B 28 12.690 13.074 -0.519 1.00 0.79 O ATOM 954 CB VAL B 28 10.844 10.617 0.752 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.494 11.249 1.974 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.451 10.097 1.086 1.00 0.63 C ATOM 0 H VAL B 28 9.733 10.122 -1.434 1.00 0.57 H new ATOM 0 HA VAL B 28 10.255 12.511 -0.074 1.00 0.63 H new ATOM 0 HB VAL B 28 11.456 9.770 0.442 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.526 10.522 2.786 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.509 11.561 1.726 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.914 12.117 2.287 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.515 9.388 1.912 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.810 10.931 1.373 1.00 0.63 H new ATOM 0 HG23 VAL B 28 9.029 9.599 0.213 1.00 0.63 H new ATOM 966 N GLN B 29 12.855 11.070 -1.532 1.00 0.80 N ATOM 967 CA GLN B 29 14.214 11.300 -2.006 1.00 0.92 C ATOM 968 C GLN B 29 14.284 12.627 -2.751 1.00 0.94 C ATOM 969 O GLN B 29 15.299 13.322 -2.715 1.00 1.02 O ATOM 970 CB GLN B 29 14.662 10.158 -2.920 1.00 1.05 C ATOM 971 CG GLN B 29 15.402 9.048 -2.190 1.00 1.34 C ATOM 972 CD GLN B 29 14.488 8.226 -1.302 1.00 1.63 C ATOM 973 OE1 GLN B 29 14.152 7.085 -1.624 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.081 8.801 -0.177 1.00 1.99 N ATOM 0 H GLN B 29 12.465 10.164 -1.790 1.00 0.80 H new ATOM 0 HA GLN B 29 14.884 11.338 -1.147 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.788 9.736 -3.415 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.307 10.561 -3.701 1.00 1.05 H new ATOM 0 HG2 GLN B 29 15.879 8.393 -2.919 1.00 1.34 H new ATOM 0 HG3 GLN B 29 16.197 9.483 -1.584 1.00 1.34 H new ATOM 0 HE21 GLN B 29 14.384 9.748 0.050 1.00 1.99 H new ATOM 0 HE22 GLN B 29 13.465 8.296 0.460 1.00 1.99 H new ATOM 983 N GLN B 30 13.184 12.974 -3.412 1.00 0.93 N ATOM 984 CA GLN B 30 13.099 14.223 -4.154 1.00 1.05 C ATOM 985 C GLN B 30 13.056 15.408 -3.195 1.00 1.03 C ATOM 986 O GLN B 30 13.528 16.498 -3.518 1.00 1.16 O ATOM 987 CB GLN B 30 11.858 14.228 -5.047 1.00 1.14 C ATOM 988 CG GLN B 30 11.973 15.160 -6.241 1.00 1.56 C ATOM 989 CD GLN B 30 12.195 14.416 -7.543 1.00 1.85 C ATOM 990 OE1 GLN B 30 12.948 13.444 -7.595 1.00 2.32 O ATOM 991 NE2 GLN B 30 11.538 14.870 -8.605 1.00 2.39 N ATOM 0 H GLN B 30 12.338 12.405 -3.448 1.00 0.93 H new ATOM 0 HA GLN B 30 13.985 14.311 -4.783 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.673 13.215 -5.404 1.00 1.14 H new ATOM 0 HB3 GLN B 30 10.993 14.519 -4.451 1.00 1.14 H new ATOM 0 HG2 GLN B 30 11.065 15.758 -6.319 1.00 1.56 H new ATOM 0 HG3 GLN B 30 12.798 15.853 -6.078 1.00 1.56 H new ATOM 0 HE21 GLN B 30 10.924 15.679 -8.517 1.00 2.39 H new ATOM 0 HE22 GLN B 30 11.648 14.409 -9.508 1.00 2.39 H new ATOM 1000 N HIS B 31 12.491 15.186 -2.008 1.00 0.92 N ATOM 1001 CA HIS B 31 12.397 16.242 -1.003 1.00 1.01 C ATOM 1002 C HIS B 31 12.611 15.681 0.402 1.00 1.11 C ATOM 1003 O HIS B 31 11.672 15.584 1.193 1.00 1.33 O ATOM 1004 CB HIS B 31 11.041 16.952 -1.090 1.00 1.26 C ATOM 1005 CG HIS B 31 9.875 16.074 -0.757 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.414 15.090 -1.600 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.071 16.040 0.332 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.376 14.490 -1.048 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.147 15.046 0.127 1.00 3.18 N ATOM 0 H HIS B 31 12.095 14.291 -1.721 1.00 0.92 H new ATOM 0 HA HIS B 31 13.184 16.968 -1.205 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.045 17.806 -0.413 1.00 1.26 H new ATOM 0 HB3 HIS B 31 10.911 17.345 -2.098 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.812 14.860 -2.510 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.143 16.677 1.201 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.810 13.681 -1.484 1.00 2.71 H new ATOM 1018 N PRO B 32 13.858 15.306 0.733 1.00 1.38 N ATOM 1019 CA PRO B 32 14.192 14.755 2.050 1.00 1.79 C ATOM 1020 C PRO B 32 14.160 15.815 3.145 1.00 1.86 C ATOM 1021 O PRO B 32 13.901 15.512 4.309 1.00 2.31 O ATOM 1022 CB PRO B 32 15.613 14.224 1.861 1.00 2.24 C ATOM 1023 CG PRO B 32 16.186 15.061 0.770 1.00 2.17 C ATOM 1024 CD PRO B 32 15.038 15.389 -0.148 1.00 1.64 C ATOM 0 HA PRO B 32 13.478 13.996 2.368 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.195 14.315 2.778 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.609 13.168 1.590 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.637 15.969 1.171 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.971 14.524 0.237 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.144 16.382 -0.584 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.971 14.683 -0.976 1.00 1.64 H new ATOM 1032 N ARG B 33 14.425 17.060 2.763 1.00 2.06 N ATOM 1033 CA ARG B 33 14.426 18.168 3.712 1.00 2.26 C ATOM 1034 C ARG B 33 13.122 18.955 3.629 1.00 3.01 C ATOM 1035 O ARG B 33 12.138 18.413 3.084 1.00 3.62 O ATOM 1036 CB ARG B 33 15.613 19.094 3.443 1.00 2.19 C ATOM 1037 CG ARG B 33 16.958 18.385 3.483 1.00 2.87 C ATOM 1038 CD ARG B 33 17.737 18.587 2.191 1.00 3.48 C ATOM 1039 NE ARG B 33 19.143 18.895 2.441 1.00 4.18 N ATOM 1040 CZ ARG B 33 19.960 19.422 1.532 1.00 4.96 C ATOM 1041 NH1 ARG B 33 19.516 19.700 0.313 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.225 19.673 1.843 1.00 5.81 N ATOM 0 H ARG B 33 14.642 17.327 1.803 1.00 2.06 H new ATOM 0 HA ARG B 33 14.517 17.755 4.717 1.00 2.26 H new ATOM 0 HB2 ARG B 33 15.486 19.560 2.466 1.00 2.19 H new ATOM 0 HB3 ARG B 33 15.612 19.896 4.181 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.543 18.760 4.323 1.00 2.87 H new ATOM 0 HG3 ARG B 33 16.803 17.319 3.652 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.666 17.687 1.581 1.00 3.48 H new ATOM 0 HD3 ARG B 33 17.285 19.397 1.618 1.00 3.48 H new ATOM 0 HE ARG B 33 19.521 18.694 3.367 1.00 4.18 H new ATOM 0 HH11 ARG B 33 18.544 19.510 0.069 1.00 5.21 H new ATOM 0 HH12 ARG B 33 20.147 20.104 -0.380 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.572 19.462 2.779 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.851 20.077 1.146 1.00 5.81 H new TER 1056 ARG B 33