USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ -165:sc= 0.512 (180deg=0.268) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.58) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 29 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 30 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.3!) USER MOD Single : A 31 HIS : no HE2:sc= -8.88! C(o=-8.9!,f=-19!) USER MOD Single : B 1 CYS N :NH3+ -150:sc= 0.445 (180deg=0.053) USER MOD Single : B 1 CYS SG : rot 180:sc= 0.0166 USER MOD Single : B 5 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : B 8 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.05) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.43) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.938 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.41) USER MOD Single : B 31 HIS : no HE2:sc= -7.15! C(o=-7.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 9.910 15.611 5.523 1.00 4.71 N ATOM 2 CA CYS A 1 10.119 17.042 5.868 1.00 4.20 C ATOM 3 C CYS A 1 10.171 17.909 4.614 1.00 3.72 C ATOM 4 O CYS A 1 11.206 18.001 3.952 1.00 4.32 O ATOM 5 CB CYS A 1 11.426 17.167 6.652 1.00 4.04 C ATOM 6 SG CYS A 1 11.511 18.625 7.717 1.00 4.94 S ATOM 0 H1 CYS A 1 9.627 15.086 6.375 1.00 4.71 H new ATOM 0 H2 CYS A 1 9.163 15.533 4.804 1.00 4.71 H new ATOM 0 H3 CYS A 1 10.794 15.212 5.148 1.00 4.71 H new ATOM 0 HA CYS A 1 9.283 17.391 6.473 1.00 4.20 H new ATOM 0 HB2 CYS A 1 11.557 16.275 7.264 1.00 4.04 H new ATOM 0 HB3 CYS A 1 12.258 17.195 5.948 1.00 4.04 H new ATOM 0 HG CYS A 1 12.652 18.642 8.340 1.00 4.94 H new ATOM 12 N GLY A 2 9.049 18.546 4.294 1.00 3.04 N ATOM 13 CA GLY A 2 8.990 19.398 3.120 1.00 2.89 C ATOM 14 C GLY A 2 8.037 20.564 3.296 1.00 2.25 C ATOM 15 O GLY A 2 8.422 21.720 3.117 1.00 2.72 O ATOM 0 H GLY A 2 8.181 18.488 4.826 1.00 3.04 H new ATOM 0 HA2 GLY A 2 9.988 19.778 2.901 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.679 18.805 2.260 1.00 2.89 H new ATOM 19 N GLY A 3 6.788 20.262 3.646 1.00 1.84 N ATOM 20 CA GLY A 3 5.796 21.307 3.836 1.00 1.56 C ATOM 21 C GLY A 3 5.773 22.296 2.687 1.00 1.41 C ATOM 22 O GLY A 3 5.821 23.509 2.900 1.00 1.64 O ATOM 0 H GLY A 3 6.446 19.314 3.801 1.00 1.84 H new ATOM 0 HA2 GLY A 3 4.810 20.854 3.942 1.00 1.56 H new ATOM 0 HA3 GLY A 3 6.004 21.838 4.765 1.00 1.56 H new ATOM 26 N ASP A 4 5.712 21.775 1.467 1.00 1.16 N ATOM 27 CA ASP A 4 5.697 22.614 0.277 1.00 1.32 C ATOM 28 C ASP A 4 4.644 22.132 -0.718 1.00 1.31 C ATOM 29 O ASP A 4 3.520 22.633 -0.746 1.00 1.72 O ATOM 30 CB ASP A 4 7.081 22.603 -0.378 1.00 1.55 C ATOM 31 CG ASP A 4 8.099 23.407 0.407 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.908 24.633 0.544 1.00 2.71 O ATOM 33 OD2 ASP A 4 9.087 22.810 0.883 1.00 2.50 O ATOM 0 H ASP A 4 5.672 20.774 1.277 1.00 1.16 H new ATOM 0 HA ASP A 4 5.443 23.632 0.574 1.00 1.32 H new ATOM 0 HB2 ASP A 4 7.428 21.574 -0.470 1.00 1.55 H new ATOM 0 HB3 ASP A 4 7.005 23.006 -1.388 1.00 1.55 H new ATOM 38 N ASN A 5 5.022 21.151 -1.527 1.00 1.09 N ATOM 39 CA ASN A 5 4.133 20.576 -2.525 1.00 1.25 C ATOM 40 C ASN A 5 4.386 19.080 -2.629 1.00 1.13 C ATOM 41 O ASN A 5 3.452 18.278 -2.669 1.00 1.48 O ATOM 42 CB ASN A 5 4.347 21.243 -3.885 1.00 1.53 C ATOM 43 CG ASN A 5 3.055 21.395 -4.663 1.00 2.03 C ATOM 44 OD1 ASN A 5 2.744 22.475 -5.167 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.295 20.311 -4.767 1.00 2.27 N ATOM 0 H ASN A 5 5.952 20.733 -1.509 1.00 1.09 H new ATOM 0 HA ASN A 5 3.101 20.748 -2.220 1.00 1.25 H new ATOM 0 HB2 ASN A 5 4.797 22.225 -3.738 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.053 20.653 -4.469 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.415 20.353 -5.280 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.592 19.437 -4.333 1.00 2.27 H new ATOM 52 N ILE A 6 5.663 18.713 -2.646 1.00 0.80 N ATOM 53 CA ILE A 6 6.056 17.314 -2.715 1.00 0.71 C ATOM 54 C ILE A 6 5.599 16.590 -1.461 1.00 0.63 C ATOM 55 O ILE A 6 4.965 15.538 -1.525 1.00 0.60 O ATOM 56 CB ILE A 6 7.585 17.150 -2.845 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.182 18.245 -3.737 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.912 15.771 -3.388 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.618 17.988 -4.147 1.00 1.80 C ATOM 0 H ILE A 6 6.444 19.368 -2.613 1.00 0.80 H new ATOM 0 HA ILE A 6 5.585 16.889 -3.601 1.00 0.71 H new ATOM 0 HB ILE A 6 8.031 17.252 -1.856 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.570 18.343 -4.634 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.130 19.198 -3.210 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.993 15.662 -3.477 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.526 15.011 -2.708 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.453 15.648 -4.369 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.969 18.806 -4.776 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.244 17.920 -3.257 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.676 17.052 -4.703 1.00 1.80 H new ATOM 71 N GLU A 7 5.930 17.178 -0.317 1.00 0.66 N ATOM 72 CA GLU A 7 5.562 16.613 0.977 1.00 0.63 C ATOM 73 C GLU A 7 4.063 16.338 1.049 1.00 0.59 C ATOM 74 O GLU A 7 3.627 15.381 1.688 1.00 0.56 O ATOM 75 CB GLU A 7 5.973 17.561 2.105 1.00 0.76 C ATOM 76 CG GLU A 7 5.632 17.040 3.492 1.00 0.78 C ATOM 77 CD GLU A 7 6.840 16.480 4.217 1.00 1.41 C ATOM 78 OE1 GLU A 7 7.575 15.673 3.611 1.00 2.15 O ATOM 79 OE2 GLU A 7 7.052 16.849 5.392 1.00 1.96 O ATOM 0 H GLU A 7 6.455 18.050 -0.259 1.00 0.66 H new ATOM 0 HA GLU A 7 6.090 15.667 1.094 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.047 17.738 2.046 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.483 18.523 1.957 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.200 17.847 4.083 1.00 0.78 H new ATOM 0 HG3 GLU A 7 4.871 16.264 3.408 1.00 0.78 H new ATOM 86 N GLN A 8 3.279 17.181 0.387 1.00 0.64 N ATOM 87 CA GLN A 8 1.830 17.021 0.374 1.00 0.64 C ATOM 88 C GLN A 8 1.425 15.921 -0.598 1.00 0.58 C ATOM 89 O GLN A 8 0.482 15.168 -0.348 1.00 0.60 O ATOM 90 CB GLN A 8 1.152 18.337 -0.012 1.00 0.74 C ATOM 91 CG GLN A 8 -0.365 18.290 0.080 1.00 1.08 C ATOM 92 CD GLN A 8 -1.025 18.129 -1.275 1.00 1.55 C ATOM 93 OE1 GLN A 8 -0.352 17.959 -2.292 1.00 2.21 O ATOM 94 NE2 GLN A 8 -2.353 18.182 -1.296 1.00 2.21 N ATOM 0 H GLN A 8 3.621 17.980 -0.146 1.00 0.64 H new ATOM 0 HA GLN A 8 1.506 16.740 1.376 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.523 19.131 0.637 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.438 18.598 -1.031 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.661 17.463 0.725 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.726 19.205 0.550 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -2.871 18.325 -0.429 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -2.854 18.080 -2.179 1.00 2.21 H new ATOM 103 N LYS A 9 2.150 15.830 -1.707 1.00 0.56 N ATOM 104 CA LYS A 9 1.875 14.822 -2.721 1.00 0.54 C ATOM 105 C LYS A 9 1.981 13.419 -2.133 1.00 0.47 C ATOM 106 O LYS A 9 1.183 12.538 -2.455 1.00 0.52 O ATOM 107 CB LYS A 9 2.843 14.970 -3.896 1.00 0.59 C ATOM 108 CG LYS A 9 2.209 14.681 -5.246 1.00 0.86 C ATOM 109 CD LYS A 9 3.248 14.244 -6.267 1.00 1.16 C ATOM 110 CE LYS A 9 2.920 14.768 -7.656 1.00 1.65 C ATOM 111 NZ LYS A 9 2.216 13.749 -8.483 1.00 2.42 N ATOM 0 H LYS A 9 2.934 16.444 -1.926 1.00 0.56 H new ATOM 0 HA LYS A 9 0.857 14.972 -3.080 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.243 15.984 -3.901 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.687 14.296 -3.748 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.455 13.901 -5.136 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.695 15.572 -5.606 1.00 0.86 H new ATOM 0 HD2 LYS A 9 4.231 14.604 -5.964 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.301 13.156 -6.291 1.00 1.16 H new ATOM 0 HE2 LYS A 9 2.298 15.659 -7.570 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.840 15.069 -8.157 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 2.010 14.146 -9.422 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 2.820 12.909 -8.587 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 1.325 13.480 -8.018 1.00 2.42 H new ATOM 125 N ILE A 10 2.969 13.217 -1.268 1.00 0.42 N ATOM 126 CA ILE A 10 3.165 11.916 -0.643 1.00 0.38 C ATOM 127 C ILE A 10 2.056 11.612 0.351 1.00 0.38 C ATOM 128 O ILE A 10 1.543 10.497 0.389 1.00 0.38 O ATOM 129 CB ILE A 10 4.519 11.805 0.078 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.764 13.013 0.984 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.646 11.654 -0.928 1.00 0.46 C ATOM 132 CD1 ILE A 10 5.958 12.845 1.900 1.00 0.95 C ATOM 0 H ILE A 10 3.641 13.931 -0.986 1.00 0.42 H new ATOM 0 HA ILE A 10 3.146 11.189 -1.455 1.00 0.38 H new ATOM 0 HB ILE A 10 4.493 10.915 0.707 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.912 13.898 0.365 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.874 13.191 1.588 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.597 11.577 -0.400 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.486 10.754 -1.521 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.666 12.523 -1.586 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.074 13.738 2.514 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.804 11.979 2.544 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.857 12.697 1.302 1.00 0.95 H new ATOM 144 N ASP A 11 1.680 12.608 1.152 1.00 0.41 N ATOM 145 CA ASP A 11 0.618 12.430 2.137 1.00 0.46 C ATOM 146 C ASP A 11 -0.587 11.764 1.487 1.00 0.46 C ATOM 147 O ASP A 11 -1.280 10.949 2.101 1.00 0.50 O ATOM 148 CB ASP A 11 0.214 13.777 2.739 1.00 0.54 C ATOM 149 CG ASP A 11 -0.145 13.671 4.208 1.00 0.75 C ATOM 150 OD1 ASP A 11 0.727 13.263 5.003 1.00 1.48 O ATOM 151 OD2 ASP A 11 -1.297 13.995 4.563 1.00 1.32 O ATOM 0 H ASP A 11 2.093 13.541 1.138 1.00 0.41 H new ATOM 0 HA ASP A 11 0.989 11.791 2.938 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.033 14.486 2.619 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.637 14.177 2.188 1.00 0.54 H new ATOM 156 N ASP A 12 -0.809 12.100 0.222 1.00 0.46 N ATOM 157 CA ASP A 12 -1.910 11.526 -0.535 1.00 0.51 C ATOM 158 C ASP A 12 -1.648 10.047 -0.769 1.00 0.48 C ATOM 159 O ASP A 12 -2.505 9.200 -0.516 1.00 0.52 O ATOM 160 CB ASP A 12 -2.078 12.251 -1.871 1.00 0.56 C ATOM 161 CG ASP A 12 -2.943 13.491 -1.750 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.182 13.346 -1.697 1.00 1.41 O ATOM 163 OD2 ASP A 12 -2.381 14.605 -1.710 1.00 1.28 O ATOM 0 H ASP A 12 -0.240 12.767 -0.299 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.832 11.643 0.035 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.097 12.531 -2.255 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.522 11.571 -2.597 1.00 0.56 H new ATOM 168 N ILE A 13 -0.441 9.743 -1.236 1.00 0.43 N ATOM 169 CA ILE A 13 -0.049 8.365 -1.487 1.00 0.44 C ATOM 170 C ILE A 13 -0.137 7.548 -0.204 1.00 0.44 C ATOM 171 O ILE A 13 -0.698 6.459 -0.194 1.00 0.47 O ATOM 172 CB ILE A 13 1.385 8.277 -2.048 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.539 9.194 -3.264 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.726 6.838 -2.414 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.920 9.152 -3.882 1.00 0.47 C ATOM 0 H ILE A 13 0.280 10.433 -1.447 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.737 7.961 -2.230 1.00 0.44 H new ATOM 0 HB ILE A 13 2.081 8.608 -1.277 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.804 8.911 -4.017 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.314 10.218 -2.967 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.741 6.794 -2.808 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.654 6.210 -1.526 1.00 0.48 H new ATOM 0 HG23 ILE A 13 1.027 6.479 -3.170 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.956 9.826 -4.738 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.659 9.464 -3.144 1.00 0.47 H new ATOM 0 HD13 ILE A 13 3.141 8.136 -4.210 1.00 0.47 H new ATOM 187 N ASP A 14 0.414 8.091 0.880 1.00 0.43 N ATOM 188 CA ASP A 14 0.394 7.417 2.175 1.00 0.47 C ATOM 189 C ASP A 14 -1.006 6.920 2.514 1.00 0.51 C ATOM 190 O ASP A 14 -1.169 5.879 3.154 1.00 0.55 O ATOM 191 CB ASP A 14 0.887 8.363 3.272 1.00 0.49 C ATOM 192 CG ASP A 14 1.631 7.633 4.373 1.00 0.61 C ATOM 193 OD1 ASP A 14 0.969 6.957 5.190 1.00 1.26 O ATOM 194 OD2 ASP A 14 2.875 7.735 4.419 1.00 1.29 O ATOM 0 H ASP A 14 0.881 8.998 0.886 1.00 0.43 H new ATOM 0 HA ASP A 14 1.060 6.556 2.115 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.541 9.115 2.832 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.036 8.892 3.701 1.00 0.49 H new ATOM 199 N HIS A 15 -2.016 7.664 2.074 1.00 0.51 N ATOM 200 CA HIS A 15 -3.399 7.290 2.325 1.00 0.56 C ATOM 201 C HIS A 15 -3.805 6.130 1.427 1.00 0.57 C ATOM 202 O HIS A 15 -4.673 5.328 1.777 1.00 0.62 O ATOM 203 CB HIS A 15 -4.323 8.483 2.081 1.00 0.59 C ATOM 204 CG HIS A 15 -5.644 8.371 2.778 1.00 0.73 C ATOM 205 ND1 HIS A 15 -6.006 7.276 3.535 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.694 9.225 2.829 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.220 7.461 4.022 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.660 8.636 3.608 1.00 1.11 N ATOM 0 H HIS A 15 -1.901 8.527 1.543 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.489 6.979 3.366 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.823 9.393 2.412 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.495 8.586 1.010 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.760 10.189 2.347 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.761 6.770 4.651 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.570 9.040 3.831 1.00 1.11 H new ATOM 217 N GLU A 16 -3.168 6.048 0.263 1.00 0.54 N ATOM 218 CA GLU A 16 -3.460 4.990 -0.691 1.00 0.57 C ATOM 219 C GLU A 16 -2.655 3.734 -0.375 1.00 0.57 C ATOM 220 O GLU A 16 -3.133 2.617 -0.562 1.00 0.63 O ATOM 221 CB GLU A 16 -3.156 5.466 -2.113 1.00 0.56 C ATOM 222 CG GLU A 16 -3.640 6.878 -2.395 1.00 0.57 C ATOM 223 CD GLU A 16 -3.000 7.478 -3.632 1.00 1.30 C ATOM 224 OE1 GLU A 16 -1.905 7.016 -4.017 1.00 2.07 O ATOM 225 OE2 GLU A 16 -3.593 8.410 -4.215 1.00 1.99 O ATOM 0 H GLU A 16 -2.447 6.703 -0.040 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.519 4.744 -0.615 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.080 5.419 -2.281 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.620 4.782 -2.824 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.723 6.869 -2.519 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.423 7.511 -1.535 1.00 0.57 H new ATOM 232 N ILE A 17 -1.434 3.930 0.109 1.00 0.54 N ATOM 233 CA ILE A 17 -0.556 2.821 0.455 1.00 0.57 C ATOM 234 C ILE A 17 -1.149 1.999 1.596 1.00 0.59 C ATOM 235 O ILE A 17 -0.950 0.787 1.673 1.00 0.62 O ATOM 236 CB ILE A 17 0.841 3.319 0.872 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.386 4.306 -0.161 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.794 2.146 1.044 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.345 5.323 0.419 1.00 0.94 C ATOM 0 H ILE A 17 -1.029 4.852 0.271 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.459 2.199 -0.435 1.00 0.57 H new ATOM 0 HB ILE A 17 0.754 3.834 1.828 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.893 3.750 -0.950 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.551 4.830 -0.626 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.776 2.515 1.339 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.412 1.477 1.815 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.878 1.604 0.102 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.691 5.989 -0.371 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.837 5.905 1.188 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.199 4.808 0.859 1.00 0.94 H new ATOM 251 N ALA A 18 -1.875 2.676 2.480 1.00 0.58 N ATOM 252 CA ALA A 18 -2.499 2.020 3.622 1.00 0.61 C ATOM 253 C ALA A 18 -3.801 1.338 3.223 1.00 0.62 C ATOM 254 O ALA A 18 -4.117 0.251 3.707 1.00 0.66 O ATOM 255 CB ALA A 18 -2.747 3.031 4.734 1.00 0.65 C ATOM 0 H ALA A 18 -2.045 3.680 2.427 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.818 1.251 3.986 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.214 2.531 5.583 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.799 3.468 5.047 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.407 3.818 4.369 1.00 0.65 H new ATOM 261 N ASP A 19 -4.556 1.981 2.336 1.00 0.61 N ATOM 262 CA ASP A 19 -5.827 1.432 1.872 1.00 0.64 C ATOM 263 C ASP A 19 -5.647 0.016 1.334 1.00 0.61 C ATOM 264 O ASP A 19 -6.449 -0.874 1.616 1.00 0.66 O ATOM 265 CB ASP A 19 -6.428 2.329 0.788 1.00 0.66 C ATOM 266 CG ASP A 19 -7.330 3.405 1.361 1.00 1.09 C ATOM 267 OD1 ASP A 19 -6.924 4.056 2.347 1.00 1.79 O ATOM 268 OD2 ASP A 19 -8.441 3.595 0.825 1.00 1.64 O ATOM 0 H ASP A 19 -4.310 2.881 1.925 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.508 1.393 2.722 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.624 2.797 0.221 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.997 1.717 0.088 1.00 0.66 H new ATOM 273 N LEU A 20 -4.588 -0.185 0.556 1.00 0.56 N ATOM 274 CA LEU A 20 -4.301 -1.492 -0.022 1.00 0.54 C ATOM 275 C LEU A 20 -3.869 -2.484 1.054 1.00 0.52 C ATOM 276 O LEU A 20 -4.452 -3.559 1.192 1.00 0.50 O ATOM 277 CB LEU A 20 -3.214 -1.378 -1.091 1.00 0.58 C ATOM 278 CG LEU A 20 -3.377 -0.209 -2.065 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.396 -0.342 -3.218 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.805 -0.134 -2.587 1.00 0.62 C ATOM 0 H LEU A 20 -3.915 0.541 0.312 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.217 -1.861 -0.484 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.248 -1.285 -0.595 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.191 -2.306 -1.663 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.163 0.716 -1.529 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.523 0.496 -3.903 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.377 -0.342 -2.831 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.583 -1.276 -3.749 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.896 0.705 -3.277 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.052 -1.060 -3.106 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.491 0.007 -1.752 1.00 0.62 H new ATOM 292 N GLN A 21 -2.838 -2.116 1.810 1.00 0.54 N ATOM 293 CA GLN A 21 -2.320 -2.974 2.872 1.00 0.55 C ATOM 294 C GLN A 21 -3.438 -3.442 3.798 1.00 0.53 C ATOM 295 O GLN A 21 -3.395 -4.554 4.325 1.00 0.53 O ATOM 296 CB GLN A 21 -1.251 -2.234 3.677 1.00 0.60 C ATOM 297 CG GLN A 21 -0.246 -3.156 4.345 1.00 0.87 C ATOM 298 CD GLN A 21 0.044 -2.764 5.781 1.00 1.25 C ATOM 299 OE1 GLN A 21 -0.831 -2.829 6.643 1.00 1.99 O ATOM 300 NE2 GLN A 21 1.279 -2.350 6.043 1.00 1.74 N ATOM 0 H GLN A 21 -2.345 -1.229 1.707 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.874 -3.852 2.405 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.720 -1.549 3.016 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.738 -1.627 4.440 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.625 -4.178 4.321 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.683 -3.147 3.776 1.00 0.87 H new ATOM 0 HE21 GLN A 21 1.973 -2.312 5.297 1.00 1.74 H new ATOM 0 HE22 GLN A 21 1.533 -2.070 6.990 1.00 1.74 H new ATOM 309 N ALA A 22 -4.437 -2.589 3.991 1.00 0.55 N ATOM 310 CA ALA A 22 -5.566 -2.918 4.852 1.00 0.57 C ATOM 311 C ALA A 22 -6.497 -3.919 4.177 1.00 0.55 C ATOM 312 O ALA A 22 -7.165 -4.708 4.845 1.00 0.65 O ATOM 313 CB ALA A 22 -6.328 -1.656 5.227 1.00 0.65 C ATOM 0 H ALA A 22 -4.488 -1.665 3.563 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.177 -3.378 5.760 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.169 -1.916 5.870 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.663 -0.974 5.757 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.699 -1.173 4.323 1.00 0.65 H new ATOM 319 N LYS A 23 -6.538 -3.880 2.849 1.00 0.53 N ATOM 320 CA LYS A 23 -7.389 -4.783 2.083 1.00 0.55 C ATOM 321 C LYS A 23 -6.821 -6.199 2.072 1.00 0.50 C ATOM 322 O LYS A 23 -7.569 -7.177 2.052 1.00 0.57 O ATOM 323 CB LYS A 23 -7.547 -4.273 0.649 1.00 0.61 C ATOM 324 CG LYS A 23 -8.666 -3.257 0.486 1.00 0.70 C ATOM 325 CD LYS A 23 -8.326 -2.220 -0.571 1.00 0.79 C ATOM 326 CE LYS A 23 -8.810 -2.646 -1.949 1.00 0.96 C ATOM 327 NZ LYS A 23 -9.537 -1.549 -2.647 1.00 1.53 N ATOM 0 H LYS A 23 -5.992 -3.232 2.281 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.367 -4.811 2.564 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.608 -3.822 0.327 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.737 -5.120 -0.010 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.588 -3.770 0.211 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.850 -2.760 1.439 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -8.780 -1.265 -0.304 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -7.247 -2.065 -0.595 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -7.958 -2.958 -2.553 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -9.466 -3.511 -1.852 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -9.850 -1.880 -3.582 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.365 -1.268 -2.084 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -8.904 -0.732 -2.763 1.00 1.53 H new ATOM 341 N ARG A 24 -5.496 -6.304 2.079 1.00 0.46 N ATOM 342 CA ARG A 24 -4.834 -7.606 2.066 1.00 0.50 C ATOM 343 C ARG A 24 -5.052 -8.347 3.383 1.00 0.52 C ATOM 344 O ARG A 24 -5.358 -9.539 3.390 1.00 0.60 O ATOM 345 CB ARG A 24 -3.336 -7.435 1.807 1.00 0.61 C ATOM 346 CG ARG A 24 -2.906 -7.879 0.421 1.00 1.15 C ATOM 347 CD ARG A 24 -1.457 -8.339 0.404 1.00 1.41 C ATOM 348 NE ARG A 24 -1.326 -9.722 -0.052 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.346 -10.542 0.326 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.602 -10.123 1.155 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.312 -11.786 -0.132 1.00 2.74 N ATOM 0 H ARG A 24 -4.860 -5.507 2.094 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.272 -8.198 1.263 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.069 -6.387 1.943 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.779 -8.005 2.551 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.550 -8.691 0.083 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.035 -7.056 -0.282 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.877 -7.686 -0.248 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.035 -8.246 1.405 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.028 -10.081 -0.699 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.584 -9.166 1.508 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.348 -10.758 1.439 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.035 -12.114 -0.772 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.437 -12.415 0.156 1.00 2.74 H new ATOM 365 N THR A 25 -4.886 -7.635 4.493 1.00 0.53 N ATOM 366 CA THR A 25 -5.057 -8.227 5.815 1.00 0.60 C ATOM 367 C THR A 25 -6.483 -8.722 6.014 1.00 0.59 C ATOM 368 O THR A 25 -6.708 -9.895 6.315 1.00 0.67 O ATOM 369 CB THR A 25 -4.713 -7.210 6.900 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.893 -6.177 6.381 1.00 0.77 O ATOM 371 CG2 THR A 25 -3.993 -7.817 8.084 1.00 0.81 C ATOM 0 H THR A 25 -4.633 -6.647 4.503 1.00 0.53 H new ATOM 0 HA THR A 25 -4.380 -9.078 5.889 1.00 0.60 H new ATOM 0 HB THR A 25 -5.672 -6.818 7.240 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.686 -5.535 7.092 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.779 -7.039 8.817 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.622 -8.582 8.539 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.059 -8.268 7.750 1.00 0.81 H new ATOM 379 N ARG A 26 -7.447 -7.822 5.846 1.00 0.56 N ATOM 380 CA ARG A 26 -8.855 -8.171 6.009 1.00 0.61 C ATOM 381 C ARG A 26 -9.182 -9.434 5.224 1.00 0.58 C ATOM 382 O ARG A 26 -9.887 -10.321 5.710 1.00 0.65 O ATOM 383 CB ARG A 26 -9.750 -7.018 5.550 1.00 0.64 C ATOM 384 CG ARG A 26 -9.622 -6.697 4.069 1.00 0.59 C ATOM 385 CD ARG A 26 -10.577 -5.589 3.656 1.00 1.02 C ATOM 386 NE ARG A 26 -11.974 -5.981 3.824 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.986 -5.117 3.882 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.759 -3.812 3.787 1.00 2.38 N ATOM 389 NH2 ARG A 26 -14.226 -5.558 4.035 1.00 2.54 N ATOM 0 H ARG A 26 -7.280 -6.847 5.597 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.043 -8.357 7.066 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.788 -7.266 5.771 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.505 -6.127 6.128 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.598 -6.398 3.848 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.826 -7.593 3.482 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.377 -4.697 4.250 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.397 -5.325 2.614 1.00 1.02 H new ATOM 0 HE ARG A 26 -12.187 -6.975 3.902 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -11.806 -3.467 3.669 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.537 -3.154 3.832 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -14.406 -6.559 4.108 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -15.001 -4.896 4.079 1.00 2.54 H new ATOM 403 N LEU A 27 -8.645 -9.517 4.014 1.00 0.51 N ATOM 404 CA LEU A 27 -8.861 -10.678 3.167 1.00 0.51 C ATOM 405 C LEU A 27 -8.239 -11.914 3.804 1.00 0.53 C ATOM 406 O LEU A 27 -8.813 -13.002 3.763 1.00 0.59 O ATOM 407 CB LEU A 27 -8.266 -10.446 1.778 1.00 0.47 C ATOM 408 CG LEU A 27 -9.194 -9.741 0.785 1.00 0.66 C ATOM 409 CD1 LEU A 27 -8.438 -9.373 -0.481 1.00 1.31 C ATOM 410 CD2 LEU A 27 -10.391 -10.621 0.458 1.00 1.35 C ATOM 0 H LEU A 27 -8.057 -8.794 3.599 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.934 -10.836 3.062 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.356 -9.856 1.883 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.975 -11.409 1.359 1.00 0.47 H new ATOM 0 HG LEU A 27 -9.559 -8.823 1.245 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -9.113 -8.873 -1.175 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -7.614 -8.705 -0.231 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.044 -10.277 -0.945 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -11.040 -10.104 -0.249 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -10.046 -11.556 0.017 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -10.946 -10.834 1.371 1.00 1.35 H new ATOM 422 N VAL A 28 -7.066 -11.735 4.409 1.00 0.54 N ATOM 423 CA VAL A 28 -6.378 -12.838 5.068 1.00 0.62 C ATOM 424 C VAL A 28 -7.232 -13.396 6.194 1.00 0.72 C ATOM 425 O VAL A 28 -7.415 -14.608 6.310 1.00 0.79 O ATOM 426 CB VAL A 28 -5.018 -12.401 5.638 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.269 -13.594 6.215 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.186 -11.703 4.572 1.00 0.62 C ATOM 0 H VAL A 28 -6.576 -10.841 4.455 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.207 -13.607 4.315 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.198 -11.691 6.445 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.310 -13.263 6.613 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.859 -14.042 7.015 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.101 -14.332 5.431 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.228 -11.402 4.997 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.015 -12.385 3.739 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.718 -10.821 4.215 1.00 0.62 H new ATOM 438 N GLN A 29 -7.769 -12.499 7.016 1.00 0.76 N ATOM 439 CA GLN A 29 -8.625 -12.900 8.124 1.00 0.87 C ATOM 440 C GLN A 29 -9.726 -13.822 7.619 1.00 0.87 C ATOM 441 O GLN A 29 -10.171 -14.727 8.323 1.00 0.97 O ATOM 442 CB GLN A 29 -9.235 -11.670 8.802 1.00 0.95 C ATOM 443 CG GLN A 29 -8.419 -11.158 9.978 1.00 1.50 C ATOM 444 CD GLN A 29 -7.291 -10.239 9.549 1.00 1.68 C ATOM 445 OE1 GLN A 29 -7.475 -9.365 8.701 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.116 -10.434 10.133 1.00 2.15 N ATOM 0 H GLN A 29 -7.626 -11.492 6.935 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.022 -13.434 8.858 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.337 -10.872 8.066 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.239 -11.916 9.147 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.075 -10.625 10.666 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.005 -12.005 10.524 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -6.009 -11.170 10.831 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.319 -9.848 9.884 1.00 2.15 H new ATOM 455 N GLN A 30 -10.146 -13.588 6.378 1.00 0.83 N ATOM 456 CA GLN A 30 -11.179 -14.399 5.755 1.00 0.93 C ATOM 457 C GLN A 30 -10.654 -15.803 5.473 1.00 0.96 C ATOM 458 O GLN A 30 -11.407 -16.776 5.512 1.00 1.09 O ATOM 459 CB GLN A 30 -11.658 -13.748 4.456 1.00 0.98 C ATOM 460 CG GLN A 30 -13.110 -14.050 4.124 1.00 1.46 C ATOM 461 CD GLN A 30 -13.708 -13.042 3.162 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.356 -11.862 3.181 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.619 -13.503 2.313 1.00 2.29 N ATOM 0 H GLN A 30 -9.783 -12.841 5.786 1.00 0.83 H new ATOM 0 HA GLN A 30 -12.022 -14.470 6.443 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.528 -12.668 4.531 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -11.028 -14.089 3.635 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -13.180 -15.047 3.690 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.695 -14.061 5.044 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.881 -14.489 2.332 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -15.057 -12.872 1.642 1.00 2.29 H new ATOM 472 N HIS A 31 -9.354 -15.903 5.198 1.00 0.87 N ATOM 473 CA HIS A 31 -8.735 -17.197 4.921 1.00 0.98 C ATOM 474 C HIS A 31 -7.383 -17.321 5.622 1.00 1.03 C ATOM 475 O HIS A 31 -6.333 -17.261 4.984 1.00 1.06 O ATOM 476 CB HIS A 31 -8.570 -17.411 3.413 1.00 0.99 C ATOM 477 CG HIS A 31 -7.620 -16.452 2.767 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.827 -15.095 2.746 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.452 -16.662 2.113 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.833 -14.508 2.106 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.982 -15.437 1.713 1.00 2.47 N ATOM 0 H HIS A 31 -8.714 -15.110 5.161 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.397 -17.970 5.312 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -8.221 -18.428 3.236 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.545 -17.320 2.934 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.625 -14.615 3.161 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.979 -17.617 1.939 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.733 -13.447 1.933 1.00 2.19 H new ATOM 490 N PRO A 32 -7.395 -17.499 6.955 1.00 1.13 N ATOM 491 CA PRO A 32 -6.165 -17.634 7.744 1.00 1.29 C ATOM 492 C PRO A 32 -5.301 -18.799 7.274 1.00 1.57 C ATOM 493 O PRO A 32 -4.244 -18.599 6.676 1.00 2.23 O ATOM 494 CB PRO A 32 -6.668 -17.877 9.174 1.00 1.44 C ATOM 495 CG PRO A 32 -8.099 -18.274 9.031 1.00 1.39 C ATOM 496 CD PRO A 32 -8.598 -17.586 7.794 1.00 1.19 C ATOM 0 HA PRO A 32 -5.529 -16.753 7.653 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -6.091 -18.660 9.665 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.569 -16.978 9.783 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -8.197 -19.356 8.942 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.677 -17.973 9.905 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -9.389 -18.156 7.307 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -9.006 -16.600 8.017 1.00 1.19 H new ATOM 504 N ARG A 33 -5.758 -20.014 7.549 1.00 1.74 N ATOM 505 CA ARG A 33 -5.028 -21.214 7.156 1.00 2.03 C ATOM 506 C ARG A 33 -5.781 -21.977 6.071 1.00 3.00 C ATOM 507 O ARG A 33 -6.514 -22.924 6.359 1.00 3.75 O ATOM 508 CB ARG A 33 -4.801 -22.119 8.368 1.00 1.88 C ATOM 509 CG ARG A 33 -6.063 -22.388 9.172 1.00 2.44 C ATOM 510 CD ARG A 33 -6.256 -21.353 10.269 1.00 3.16 C ATOM 511 NE ARG A 33 -6.763 -21.950 11.502 1.00 3.92 N ATOM 512 CZ ARG A 33 -7.341 -21.255 12.480 1.00 4.70 C ATOM 513 NH1 ARG A 33 -7.486 -19.940 12.371 1.00 4.92 N ATOM 514 NH2 ARG A 33 -7.774 -21.876 13.568 1.00 5.58 N ATOM 0 H ARG A 33 -6.632 -20.195 8.043 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.062 -20.907 6.756 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -4.387 -23.069 8.029 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -4.056 -21.661 9.019 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -6.927 -22.381 8.508 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -6.009 -23.383 9.614 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -5.307 -20.857 10.470 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -6.950 -20.586 9.926 1.00 3.16 H new ATOM 0 HE ARG A 33 -6.669 -22.959 11.621 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -7.154 -19.458 11.536 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -7.929 -19.412 13.123 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -7.665 -22.886 13.656 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -8.217 -21.344 14.317 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -13.968 -25.242 2.690 1.00 5.15 N ATOM 530 CA CYS B 1 -14.697 -24.756 1.524 1.00 4.44 C ATOM 531 C CYS B 1 -13.899 -23.681 0.793 1.00 3.68 C ATOM 532 O CYS B 1 -13.803 -23.693 -0.434 1.00 4.02 O ATOM 533 CB CYS B 1 -16.059 -24.199 1.945 1.00 4.47 C ATOM 534 SG CYS B 1 -15.986 -23.042 3.332 1.00 5.51 S ATOM 0 H1 CYS B 1 -14.220 -26.235 2.868 1.00 5.15 H new ATOM 0 H2 CYS B 1 -12.945 -25.170 2.515 1.00 5.15 H new ATOM 0 H3 CYS B 1 -14.218 -24.668 3.520 1.00 5.15 H new ATOM 0 HA CYS B 1 -14.849 -25.595 0.845 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -16.514 -23.698 1.091 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -16.712 -25.029 2.212 1.00 4.47 H new ATOM 0 HG CYS B 1 -17.185 -22.625 3.612 1.00 5.51 H new ATOM 540 N GLY B 2 -13.328 -22.754 1.555 1.00 3.11 N ATOM 541 CA GLY B 2 -12.546 -21.686 0.962 1.00 2.73 C ATOM 542 C GLY B 2 -11.100 -22.082 0.736 1.00 2.20 C ATOM 543 O GLY B 2 -10.274 -21.989 1.644 1.00 2.81 O ATOM 0 H GLY B 2 -13.393 -22.724 2.572 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -12.993 -21.398 0.011 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -12.583 -20.810 1.610 1.00 2.73 H new ATOM 547 N GLY B 3 -10.793 -22.524 -0.480 1.00 1.66 N ATOM 548 CA GLY B 3 -9.437 -22.929 -0.801 1.00 1.45 C ATOM 549 C GLY B 3 -8.455 -21.776 -0.729 1.00 1.30 C ATOM 550 O GLY B 3 -7.953 -21.446 0.346 1.00 1.48 O ATOM 0 H GLY B 3 -11.459 -22.609 -1.248 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.123 -23.713 -0.112 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.417 -23.358 -1.803 1.00 1.45 H new ATOM 554 N ASP B 4 -8.180 -21.163 -1.876 1.00 1.06 N ATOM 555 CA ASP B 4 -7.251 -20.040 -1.938 1.00 1.10 C ATOM 556 C ASP B 4 -7.776 -18.933 -2.847 1.00 1.01 C ATOM 557 O ASP B 4 -7.036 -18.026 -3.226 1.00 1.22 O ATOM 558 CB ASP B 4 -5.892 -20.509 -2.446 1.00 1.23 C ATOM 559 CG ASP B 4 -5.278 -21.577 -1.561 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.535 -22.773 -1.811 1.00 2.34 O ATOM 561 OD2 ASP B 4 -4.540 -21.216 -0.621 1.00 2.59 O ATOM 0 H ASP B 4 -8.587 -21.425 -2.774 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.149 -19.640 -0.929 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.001 -20.899 -3.458 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.215 -19.656 -2.504 1.00 1.23 H new ATOM 566 N ASN B 5 -9.058 -19.006 -3.188 1.00 0.92 N ATOM 567 CA ASN B 5 -9.681 -18.002 -4.045 1.00 1.02 C ATOM 568 C ASN B 5 -9.415 -16.608 -3.496 1.00 0.99 C ATOM 569 O ASN B 5 -9.346 -15.631 -4.242 1.00 1.39 O ATOM 570 CB ASN B 5 -11.188 -18.248 -4.146 1.00 1.19 C ATOM 571 CG ASN B 5 -11.871 -17.270 -5.082 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.842 -16.612 -4.709 1.00 2.22 O ATOM 573 ND2 ASN B 5 -11.366 -17.171 -6.306 1.00 1.86 N ATOM 0 H ASN B 5 -9.687 -19.750 -2.884 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.248 -18.078 -5.042 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.365 -19.265 -4.495 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.634 -18.170 -3.154 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.784 -16.530 -6.980 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.560 -17.736 -6.572 1.00 1.86 H new ATOM 580 N ILE B 6 -9.252 -16.534 -2.181 1.00 0.68 N ATOM 581 CA ILE B 6 -8.976 -15.278 -1.510 1.00 0.63 C ATOM 582 C ILE B 6 -7.482 -14.980 -1.535 1.00 0.56 C ATOM 583 O ILE B 6 -7.064 -13.855 -1.805 1.00 0.53 O ATOM 584 CB ILE B 6 -9.454 -15.315 -0.049 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.892 -15.833 0.030 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.344 -13.937 0.577 1.00 0.85 C ATOM 587 CD1 ILE B 6 -10.989 -17.294 0.411 1.00 1.57 C ATOM 0 H ILE B 6 -9.308 -17.339 -1.557 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.517 -14.495 -2.041 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.814 -15.998 0.510 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.444 -15.239 0.758 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.376 -15.685 -0.935 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.686 -13.979 1.611 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.305 -13.608 0.551 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.962 -13.233 0.019 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.037 -17.592 0.448 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.466 -17.899 -0.330 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.534 -17.446 1.390 1.00 1.57 H new ATOM 599 N GLU B 7 -6.685 -16.008 -1.260 1.00 0.60 N ATOM 600 CA GLU B 7 -5.232 -15.878 -1.255 1.00 0.59 C ATOM 601 C GLU B 7 -4.735 -15.340 -2.591 1.00 0.57 C ATOM 602 O GLU B 7 -3.710 -14.662 -2.658 1.00 0.53 O ATOM 603 CB GLU B 7 -4.579 -17.229 -0.960 1.00 0.75 C ATOM 604 CG GLU B 7 -3.303 -17.122 -0.142 1.00 0.78 C ATOM 605 CD GLU B 7 -2.335 -18.256 -0.418 1.00 1.29 C ATOM 606 OE1 GLU B 7 -2.221 -18.666 -1.593 1.00 1.94 O ATOM 607 OE2 GLU B 7 -1.691 -18.734 0.539 1.00 1.93 O ATOM 0 H GLU B 7 -7.023 -16.944 -1.037 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.955 -15.172 -0.472 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.291 -17.859 -0.426 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.356 -17.729 -1.903 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.815 -16.172 -0.360 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.555 -17.115 0.918 1.00 0.78 H new ATOM 614 N GLN B 8 -5.474 -15.642 -3.652 1.00 0.64 N ATOM 615 CA GLN B 8 -5.116 -15.182 -4.987 1.00 0.69 C ATOM 616 C GLN B 8 -5.486 -13.715 -5.155 1.00 0.63 C ATOM 617 O GLN B 8 -4.722 -12.926 -5.715 1.00 0.67 O ATOM 618 CB GLN B 8 -5.828 -16.029 -6.043 1.00 0.82 C ATOM 619 CG GLN B 8 -5.444 -15.671 -7.469 1.00 1.18 C ATOM 620 CD GLN B 8 -3.993 -15.983 -7.778 1.00 1.54 C ATOM 621 OE1 GLN B 8 -3.565 -17.135 -7.707 1.00 2.16 O ATOM 622 NE2 GLN B 8 -3.226 -14.955 -8.122 1.00 2.22 N ATOM 0 H GLN B 8 -6.325 -16.203 -3.613 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.039 -15.288 -5.118 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.601 -17.080 -5.867 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.905 -15.912 -5.925 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -6.085 -16.217 -8.162 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -5.627 -14.609 -7.635 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -3.622 -14.016 -8.168 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -2.241 -15.104 -8.340 1.00 2.22 H new ATOM 631 N LYS B 9 -6.663 -13.355 -4.658 1.00 0.57 N ATOM 632 CA LYS B 9 -7.143 -11.984 -4.741 1.00 0.58 C ATOM 633 C LYS B 9 -6.212 -11.040 -3.991 1.00 0.50 C ATOM 634 O LYS B 9 -5.957 -9.921 -4.436 1.00 0.59 O ATOM 635 CB LYS B 9 -8.562 -11.880 -4.175 1.00 0.64 C ATOM 636 CG LYS B 9 -9.647 -12.006 -5.231 1.00 1.01 C ATOM 637 CD LYS B 9 -11.015 -12.216 -4.600 1.00 1.26 C ATOM 638 CE LYS B 9 -11.777 -10.908 -4.472 1.00 1.86 C ATOM 639 NZ LYS B 9 -13.231 -11.083 -4.744 1.00 2.37 N ATOM 0 H LYS B 9 -7.304 -13.997 -4.192 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.159 -11.693 -5.791 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.704 -12.659 -3.425 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.672 -10.923 -3.665 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.663 -11.107 -5.847 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.418 -12.842 -5.892 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -11.592 -12.916 -5.204 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -10.897 -12.667 -3.615 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.641 -10.506 -3.468 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.363 -10.177 -5.167 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.715 -10.168 -4.646 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -13.362 -11.443 -5.711 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -13.632 -11.761 -4.065 1.00 2.37 H new ATOM 653 N ILE B 10 -5.703 -11.496 -2.850 1.00 0.41 N ATOM 654 CA ILE B 10 -4.800 -10.685 -2.048 1.00 0.38 C ATOM 655 C ILE B 10 -3.451 -10.525 -2.732 1.00 0.36 C ATOM 656 O ILE B 10 -2.890 -9.432 -2.759 1.00 0.37 O ATOM 657 CB ILE B 10 -4.572 -11.271 -0.645 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.198 -12.752 -0.715 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.803 -11.069 0.223 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.753 -13.321 0.614 1.00 1.11 C ATOM 0 H ILE B 10 -5.901 -12.419 -2.463 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.283 -9.713 -1.945 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.736 -10.739 -0.191 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.056 -13.319 -1.076 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.399 -12.884 -1.444 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.624 -11.490 1.212 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -6.013 -10.003 0.315 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.657 -11.569 -0.235 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.503 -14.375 0.493 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.876 -12.778 0.967 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.559 -13.221 1.341 1.00 1.11 H new ATOM 672 N ASP B 11 -2.932 -11.616 -3.292 1.00 0.39 N ATOM 673 CA ASP B 11 -1.647 -11.576 -3.981 1.00 0.47 C ATOM 674 C ASP B 11 -1.626 -10.421 -4.973 1.00 0.48 C ATOM 675 O ASP B 11 -0.599 -9.767 -5.176 1.00 0.52 O ATOM 676 CB ASP B 11 -1.388 -12.898 -4.708 1.00 0.58 C ATOM 677 CG ASP B 11 0.078 -13.098 -5.037 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.808 -13.649 -4.187 1.00 1.45 O ATOM 679 OD2 ASP B 11 0.496 -12.705 -6.147 1.00 1.51 O ATOM 0 H ASP B 11 -3.379 -12.533 -3.282 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.859 -11.426 -3.243 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.735 -13.725 -4.088 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.971 -12.924 -5.629 1.00 0.58 H new ATOM 684 N ASP B 12 -2.784 -10.159 -5.564 1.00 0.48 N ATOM 685 CA ASP B 12 -2.919 -9.067 -6.516 1.00 0.53 C ATOM 686 C ASP B 12 -2.754 -7.743 -5.788 1.00 0.49 C ATOM 687 O ASP B 12 -2.019 -6.858 -6.229 1.00 0.54 O ATOM 688 CB ASP B 12 -4.283 -9.123 -7.208 1.00 0.60 C ATOM 689 CG ASP B 12 -4.275 -10.025 -8.427 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.251 -10.047 -9.142 1.00 1.44 O ATOM 691 OD2 ASP B 12 -5.292 -10.707 -8.667 1.00 1.32 O ATOM 0 H ASP B 12 -3.641 -10.687 -5.401 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.146 -9.161 -7.279 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.032 -9.479 -6.501 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.578 -8.117 -7.506 1.00 0.60 H new ATOM 696 N ILE B 13 -3.429 -7.629 -4.653 1.00 0.43 N ATOM 697 CA ILE B 13 -3.350 -6.431 -3.839 1.00 0.44 C ATOM 698 C ILE B 13 -1.915 -6.199 -3.384 1.00 0.42 C ATOM 699 O ILE B 13 -1.407 -5.085 -3.460 1.00 0.45 O ATOM 700 CB ILE B 13 -4.269 -6.523 -2.606 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.677 -6.954 -3.022 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.307 -5.191 -1.873 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.679 -6.936 -1.888 1.00 0.50 C ATOM 0 H ILE B 13 -4.038 -8.355 -4.277 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.682 -5.594 -4.453 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.868 -7.275 -1.927 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.029 -6.296 -3.816 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.631 -7.960 -3.439 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.960 -5.272 -1.004 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.301 -4.926 -1.547 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.687 -4.418 -2.542 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.654 -7.253 -2.259 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.351 -7.616 -1.102 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.755 -5.926 -1.486 1.00 0.50 H new ATOM 715 N ASP B 14 -1.262 -7.266 -2.928 1.00 0.40 N ATOM 716 CA ASP B 14 0.124 -7.186 -2.470 1.00 0.43 C ATOM 717 C ASP B 14 0.995 -6.466 -3.493 1.00 0.46 C ATOM 718 O ASP B 14 1.929 -5.749 -3.134 1.00 0.48 O ATOM 719 CB ASP B 14 0.678 -8.589 -2.212 1.00 0.44 C ATOM 720 CG ASP B 14 1.626 -8.626 -1.031 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.353 -7.934 -0.028 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.643 -9.349 -1.108 1.00 1.32 O ATOM 0 H ASP B 14 -1.671 -8.198 -2.866 1.00 0.40 H new ATOM 0 HA ASP B 14 0.141 -6.617 -1.540 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.149 -9.276 -2.033 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.198 -8.941 -3.103 1.00 0.44 H new ATOM 727 N HIS B 15 0.678 -6.656 -4.768 1.00 0.47 N ATOM 728 CA HIS B 15 1.426 -6.015 -5.839 1.00 0.52 C ATOM 729 C HIS B 15 1.078 -4.535 -5.914 1.00 0.53 C ATOM 730 O HIS B 15 1.892 -3.713 -6.338 1.00 0.56 O ATOM 731 CB HIS B 15 1.120 -6.689 -7.176 1.00 0.56 C ATOM 732 CG HIS B 15 2.135 -6.400 -8.238 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.455 -6.114 -7.959 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.019 -6.356 -9.587 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.107 -5.904 -9.090 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.258 -6.045 -10.091 1.00 1.19 N ATOM 0 H HIS B 15 -0.091 -7.248 -5.084 1.00 0.47 H new ATOM 0 HA HIS B 15 2.490 -6.117 -5.627 1.00 0.52 H new ATOM 0 HB2 HIS B 15 1.061 -7.767 -7.025 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.140 -6.361 -7.523 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.120 -6.533 -10.159 1.00 1.01 H new ATOM 0 HE1 HIS B 15 5.155 -5.659 -9.180 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.486 -5.940 -11.080 1.00 1.19 H new ATOM 745 N GLU B 16 -0.139 -4.203 -5.496 1.00 0.52 N ATOM 746 CA GLU B 16 -0.599 -2.823 -5.517 1.00 0.56 C ATOM 747 C GLU B 16 -0.156 -2.082 -4.261 1.00 0.57 C ATOM 748 O GLU B 16 0.140 -0.889 -4.304 1.00 0.64 O ATOM 749 CB GLU B 16 -2.122 -2.773 -5.645 1.00 0.58 C ATOM 750 CG GLU B 16 -2.679 -3.763 -6.656 1.00 0.59 C ATOM 751 CD GLU B 16 -2.559 -3.269 -8.083 1.00 1.29 C ATOM 752 OE1 GLU B 16 -3.372 -2.408 -8.484 1.00 1.99 O ATOM 753 OE2 GLU B 16 -1.654 -3.742 -8.802 1.00 2.03 O ATOM 0 H GLU B 16 -0.822 -4.871 -5.139 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.153 -2.331 -6.381 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.567 -2.972 -4.670 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.422 -1.765 -5.932 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.151 -4.712 -6.558 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -3.727 -3.957 -6.430 1.00 0.59 H new ATOM 760 N ILE B 17 -0.108 -2.799 -3.144 1.00 0.53 N ATOM 761 CA ILE B 17 0.299 -2.217 -1.872 1.00 0.57 C ATOM 762 C ILE B 17 1.751 -1.757 -1.932 1.00 0.57 C ATOM 763 O ILE B 17 2.133 -0.776 -1.292 1.00 0.61 O ATOM 764 CB ILE B 17 0.142 -3.227 -0.718 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.253 -3.848 -0.742 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.399 -2.552 0.622 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.308 -5.239 -0.153 1.00 1.06 C ATOM 0 H ILE B 17 -0.347 -3.789 -3.095 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.350 -1.361 -1.686 1.00 0.57 H new ATOM 0 HB ILE B 17 0.878 -4.020 -0.851 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -1.938 -3.203 -0.192 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.607 -3.885 -1.772 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.284 -3.281 1.424 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.412 -2.151 0.639 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.315 -1.740 0.763 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.330 -5.616 -0.204 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.649 -5.899 -0.717 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -0.985 -5.207 0.888 1.00 1.06 H new ATOM 779 N ALA B 18 2.554 -2.479 -2.707 1.00 0.53 N ATOM 780 CA ALA B 18 3.967 -2.160 -2.859 1.00 0.55 C ATOM 781 C ALA B 18 4.173 -1.018 -3.849 1.00 0.55 C ATOM 782 O ALA B 18 5.037 -0.163 -3.654 1.00 0.57 O ATOM 783 CB ALA B 18 4.736 -3.394 -3.307 1.00 0.58 C ATOM 0 H ALA B 18 2.247 -3.292 -3.241 1.00 0.53 H new ATOM 0 HA ALA B 18 4.347 -1.835 -1.891 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.791 -3.145 -3.418 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.625 -4.182 -2.562 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.343 -3.741 -4.263 1.00 0.58 H new ATOM 789 N ASP B 19 3.373 -1.009 -4.912 1.00 0.55 N ATOM 790 CA ASP B 19 3.471 0.030 -5.933 1.00 0.57 C ATOM 791 C ASP B 19 3.350 1.420 -5.315 1.00 0.55 C ATOM 792 O ASP B 19 4.113 2.328 -5.649 1.00 0.57 O ATOM 793 CB ASP B 19 2.385 -0.165 -6.992 1.00 0.61 C ATOM 794 CG ASP B 19 2.874 0.164 -8.390 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.614 1.159 -8.541 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.519 -0.575 -9.333 1.00 1.58 O ATOM 0 H ASP B 19 2.651 -1.708 -5.089 1.00 0.55 H new ATOM 0 HA ASP B 19 4.451 -0.052 -6.404 1.00 0.57 H new ATOM 0 HB2 ASP B 19 2.037 -1.198 -6.966 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.529 0.466 -6.751 1.00 0.61 H new ATOM 801 N LEU B 20 2.390 1.578 -4.410 1.00 0.52 N ATOM 802 CA LEU B 20 2.171 2.858 -3.747 1.00 0.52 C ATOM 803 C LEU B 20 3.332 3.201 -2.820 1.00 0.50 C ATOM 804 O LEU B 20 3.913 4.282 -2.911 1.00 0.50 O ATOM 805 CB LEU B 20 0.863 2.833 -2.956 1.00 0.57 C ATOM 806 CG LEU B 20 -0.330 2.209 -3.683 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.620 2.508 -2.938 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.413 2.713 -5.118 1.00 0.62 C ATOM 0 H LEU B 20 1.752 0.837 -4.119 1.00 0.52 H new ATOM 0 HA LEU B 20 2.107 3.627 -4.517 1.00 0.52 H new ATOM 0 HB2 LEU B 20 1.029 2.285 -2.029 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.605 3.855 -2.680 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.187 1.129 -3.710 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.459 2.057 -3.468 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.563 2.095 -1.931 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.765 3.587 -2.880 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.269 2.256 -5.615 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.530 3.797 -5.117 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.500 2.448 -5.650 1.00 0.62 H new ATOM 820 N GLN B 21 3.663 2.275 -1.924 1.00 0.51 N ATOM 821 CA GLN B 21 4.753 2.481 -0.975 1.00 0.52 C ATOM 822 C GLN B 21 6.027 2.928 -1.686 1.00 0.51 C ATOM 823 O GLN B 21 6.840 3.658 -1.122 1.00 0.51 O ATOM 824 CB GLN B 21 5.019 1.196 -0.187 1.00 0.56 C ATOM 825 CG GLN B 21 5.773 1.425 1.113 1.00 0.88 C ATOM 826 CD GLN B 21 6.149 0.130 1.803 1.00 1.31 C ATOM 827 OE1 GLN B 21 5.420 -0.859 1.735 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.295 0.129 2.475 1.00 1.93 N ATOM 0 H GLN B 21 3.192 1.375 -1.835 1.00 0.51 H new ATOM 0 HA GLN B 21 4.452 3.270 -0.285 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.068 0.712 0.035 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.589 0.508 -0.812 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.677 1.999 0.909 1.00 0.88 H new ATOM 0 HG3 GLN B 21 5.159 2.025 1.784 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.869 0.972 2.505 1.00 1.93 H new ATOM 0 HE22 GLN B 21 7.601 -0.714 2.961 1.00 1.93 H new ATOM 837 N ALA B 22 6.191 2.485 -2.929 1.00 0.52 N ATOM 838 CA ALA B 22 7.366 2.843 -3.716 1.00 0.55 C ATOM 839 C ALA B 22 7.267 4.276 -4.227 1.00 0.54 C ATOM 840 O ALA B 22 8.278 4.960 -4.387 1.00 0.62 O ATOM 841 CB ALA B 22 7.536 1.876 -4.878 1.00 0.60 C ATOM 0 H ALA B 22 5.527 1.879 -3.412 1.00 0.52 H new ATOM 0 HA ALA B 22 8.242 2.775 -3.070 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.416 2.154 -5.457 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.660 0.864 -4.494 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.654 1.916 -5.517 1.00 0.60 H new ATOM 847 N LYS B 23 6.041 4.724 -4.483 1.00 0.54 N ATOM 848 CA LYS B 23 5.810 6.076 -4.978 1.00 0.55 C ATOM 849 C LYS B 23 6.034 7.108 -3.876 1.00 0.49 C ATOM 850 O LYS B 23 6.465 8.229 -4.142 1.00 0.55 O ATOM 851 CB LYS B 23 4.389 6.203 -5.529 1.00 0.59 C ATOM 852 CG LYS B 23 4.123 5.322 -6.739 1.00 0.69 C ATOM 853 CD LYS B 23 2.635 5.189 -7.016 1.00 0.76 C ATOM 854 CE LYS B 23 2.374 4.448 -8.317 1.00 0.96 C ATOM 855 NZ LYS B 23 2.158 5.383 -9.456 1.00 1.43 N ATOM 0 H LYS B 23 5.194 4.171 -4.356 1.00 0.54 H new ATOM 0 HA LYS B 23 6.523 6.268 -5.780 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.679 5.948 -4.742 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.205 7.243 -5.800 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.620 5.743 -7.613 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.553 4.334 -6.572 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.157 4.659 -6.192 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.183 6.180 -7.063 1.00 0.76 H new ATOM 0 HE2 LYS B 23 3.218 3.795 -8.538 1.00 0.96 H new ATOM 0 HE3 LYS B 23 1.499 3.809 -8.201 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 1.983 4.838 -10.324 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 1.337 5.989 -9.257 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 3.003 5.976 -9.583 1.00 1.43 H new ATOM 869 N ARG B 24 5.734 6.725 -2.639 1.00 0.45 N ATOM 870 CA ARG B 24 5.900 7.621 -1.500 1.00 0.47 C ATOM 871 C ARG B 24 7.376 7.825 -1.169 1.00 0.52 C ATOM 872 O ARG B 24 7.802 8.935 -0.851 1.00 0.60 O ATOM 873 CB ARG B 24 5.165 7.062 -0.279 1.00 0.55 C ATOM 874 CG ARG B 24 5.319 7.916 0.970 1.00 1.05 C ATOM 875 CD ARG B 24 4.015 8.009 1.747 1.00 1.09 C ATOM 876 NE ARG B 24 3.812 9.339 2.316 1.00 1.29 N ATOM 877 CZ ARG B 24 4.413 9.772 3.421 1.00 1.81 C ATOM 878 NH1 ARG B 24 5.256 8.985 4.079 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.171 10.995 3.872 1.00 2.12 N ATOM 0 H ARG B 24 5.375 5.801 -2.400 1.00 0.45 H new ATOM 0 HA ARG B 24 5.473 8.588 -1.767 1.00 0.47 H new ATOM 0 HB2 ARG B 24 4.105 6.967 -0.516 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.536 6.058 -0.070 1.00 0.55 H new ATOM 0 HG2 ARG B 24 6.094 7.492 1.608 1.00 1.05 H new ATOM 0 HG3 ARG B 24 5.649 8.916 0.689 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.182 7.765 1.088 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.016 7.268 2.547 1.00 1.09 H new ATOM 0 HE ARG B 24 3.172 9.973 1.838 1.00 1.29 H new ATOM 0 HH11 ARG B 24 5.446 8.043 3.738 1.00 2.28 H new ATOM 0 HH12 ARG B 24 5.714 9.323 4.926 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.524 11.604 3.372 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.632 11.327 4.719 1.00 2.12 H new ATOM 893 N THR B 25 8.151 6.747 -1.240 1.00 0.52 N ATOM 894 CA THR B 25 9.577 6.808 -0.940 1.00 0.60 C ATOM 895 C THR B 25 10.323 7.670 -1.954 1.00 0.61 C ATOM 896 O THR B 25 11.015 8.618 -1.583 1.00 0.67 O ATOM 897 CB THR B 25 10.178 5.404 -0.921 1.00 0.64 C ATOM 898 OG1 THR B 25 9.169 4.427 -0.740 1.00 0.70 O ATOM 899 CG2 THR B 25 11.209 5.209 0.169 1.00 0.75 C ATOM 0 H THR B 25 7.815 5.820 -1.503 1.00 0.52 H new ATOM 0 HA THR B 25 9.686 7.263 0.045 1.00 0.60 H new ATOM 0 HB THR B 25 10.669 5.288 -1.887 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.575 3.535 -0.732 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.596 4.191 0.126 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.028 5.914 0.026 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.748 5.381 1.141 1.00 0.75 H new ATOM 907 N ARG B 26 10.185 7.334 -3.235 1.00 0.61 N ATOM 908 CA ARG B 26 10.856 8.082 -4.294 1.00 0.68 C ATOM 909 C ARG B 26 10.616 9.577 -4.127 1.00 0.64 C ATOM 910 O ARG B 26 11.532 10.388 -4.282 1.00 0.71 O ATOM 911 CB ARG B 26 10.377 7.613 -5.671 1.00 0.72 C ATOM 912 CG ARG B 26 8.927 7.954 -5.970 1.00 0.67 C ATOM 913 CD ARG B 26 8.560 7.615 -7.407 1.00 1.10 C ATOM 914 NE ARG B 26 9.051 6.294 -7.799 1.00 1.56 N ATOM 915 CZ ARG B 26 8.266 5.254 -8.082 1.00 2.14 C ATOM 916 NH1 ARG B 26 6.944 5.365 -8.019 1.00 2.60 N ATOM 917 NH2 ARG B 26 8.808 4.095 -8.430 1.00 2.89 N ATOM 0 H ARG B 26 9.617 6.553 -3.563 1.00 0.61 H new ATOM 0 HA ARG B 26 11.927 7.894 -4.220 1.00 0.68 H new ATOM 0 HB2 ARG B 26 11.010 8.061 -6.437 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.508 6.533 -5.741 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.275 7.407 -5.288 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.757 9.016 -5.791 1.00 0.67 H new ATOM 0 HD2 ARG B 26 7.477 7.648 -7.522 1.00 1.10 H new ATOM 0 HD3 ARG B 26 8.975 8.369 -8.075 1.00 1.10 H new ATOM 0 HE ARG B 26 10.060 6.160 -7.860 1.00 1.56 H new ATOM 0 HH11 ARG B 26 6.519 6.253 -7.752 1.00 2.60 H new ATOM 0 HH12 ARG B 26 6.354 4.562 -8.238 1.00 2.60 H new ATOM 0 HH21 ARG B 26 9.822 4.001 -8.481 1.00 2.89 H new ATOM 0 HH22 ARG B 26 8.211 3.297 -8.647 1.00 2.89 H new ATOM 931 N LEU B 27 9.384 9.936 -3.787 1.00 0.57 N ATOM 932 CA LEU B 27 9.037 11.333 -3.578 1.00 0.55 C ATOM 933 C LEU B 27 9.827 11.890 -2.401 1.00 0.56 C ATOM 934 O LEU B 27 10.273 13.038 -2.426 1.00 0.61 O ATOM 935 CB LEU B 27 7.535 11.487 -3.324 1.00 0.51 C ATOM 936 CG LEU B 27 6.721 11.968 -4.528 1.00 0.60 C ATOM 937 CD1 LEU B 27 7.306 13.257 -5.089 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.663 10.890 -5.602 1.00 1.34 C ATOM 0 H LEU B 27 8.613 9.282 -3.651 1.00 0.57 H new ATOM 0 HA LEU B 27 9.290 11.893 -4.478 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.137 10.527 -2.996 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.391 12.189 -2.503 1.00 0.51 H new ATOM 0 HG LEU B 27 5.703 12.172 -4.195 1.00 0.60 H new ATOM 0 HD11 LEU B 27 6.714 13.583 -5.944 1.00 1.38 H new ATOM 0 HD12 LEU B 27 7.289 14.029 -4.320 1.00 1.38 H new ATOM 0 HD13 LEU B 27 8.334 13.082 -5.405 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.080 11.251 -6.449 1.00 1.34 H new ATOM 0 HD22 LEU B 27 7.674 10.651 -5.933 1.00 1.34 H new ATOM 0 HD23 LEU B 27 6.194 9.995 -5.194 1.00 1.34 H new ATOM 950 N VAL B 28 10.011 11.062 -1.376 1.00 0.57 N ATOM 951 CA VAL B 28 10.762 11.469 -0.197 1.00 0.63 C ATOM 952 C VAL B 28 12.208 11.752 -0.570 1.00 0.73 C ATOM 953 O VAL B 28 12.780 12.765 -0.169 1.00 0.79 O ATOM 954 CB VAL B 28 10.728 10.390 0.899 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.414 10.888 2.163 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.295 9.966 1.191 1.00 0.63 C ATOM 0 H VAL B 28 9.651 10.108 -1.340 1.00 0.57 H new ATOM 0 HA VAL B 28 10.292 12.372 0.193 1.00 0.63 H new ATOM 0 HB VAL B 28 11.273 9.517 0.539 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.379 10.111 2.926 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.453 11.133 1.941 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.902 11.778 2.528 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.293 9.202 1.969 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.722 10.829 1.529 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.843 9.562 0.285 1.00 0.63 H new ATOM 966 N GLN B 29 12.791 10.853 -1.359 1.00 0.80 N ATOM 967 CA GLN B 29 14.168 11.011 -1.808 1.00 0.92 C ATOM 968 C GLN B 29 14.357 12.388 -2.434 1.00 0.94 C ATOM 969 O GLN B 29 15.443 12.964 -2.385 1.00 1.02 O ATOM 970 CB GLN B 29 14.529 9.916 -2.816 1.00 1.05 C ATOM 971 CG GLN B 29 15.797 9.156 -2.460 1.00 1.34 C ATOM 972 CD GLN B 29 15.641 7.656 -2.618 1.00 1.63 C ATOM 973 OE1 GLN B 29 15.617 7.136 -3.734 1.00 2.33 O ATOM 974 NE2 GLN B 29 15.533 6.951 -1.498 1.00 1.99 N ATOM 0 H GLN B 29 12.330 10.009 -1.699 1.00 0.80 H new ATOM 0 HA GLN B 29 14.831 10.921 -0.947 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.701 9.211 -2.887 1.00 1.05 H new ATOM 0 HB3 GLN B 29 14.650 10.366 -3.801 1.00 1.05 H new ATOM 0 HG2 GLN B 29 16.613 9.502 -3.094 1.00 1.34 H new ATOM 0 HG3 GLN B 29 16.075 9.382 -1.431 1.00 1.34 H new ATOM 0 HE21 GLN B 29 15.558 7.423 -0.594 1.00 1.99 H new ATOM 0 HE22 GLN B 29 15.425 5.938 -1.542 1.00 1.99 H new ATOM 983 N GLN B 30 13.279 12.910 -3.012 1.00 0.93 N ATOM 984 CA GLN B 30 13.306 14.225 -3.635 1.00 1.05 C ATOM 985 C GLN B 30 13.287 15.320 -2.572 1.00 1.03 C ATOM 986 O GLN B 30 13.836 16.403 -2.775 1.00 1.16 O ATOM 987 CB GLN B 30 12.112 14.392 -4.577 1.00 1.14 C ATOM 988 CG GLN B 30 12.139 15.688 -5.369 1.00 1.56 C ATOM 989 CD GLN B 30 13.310 15.761 -6.328 1.00 1.85 C ATOM 990 OE1 GLN B 30 13.674 14.769 -6.960 1.00 2.32 O ATOM 991 NE2 GLN B 30 13.909 16.941 -6.442 1.00 2.39 N ATOM 0 H GLN B 30 12.375 12.440 -3.061 1.00 0.93 H new ATOM 0 HA GLN B 30 14.226 14.312 -4.212 1.00 1.05 H new ATOM 0 HB2 GLN B 30 12.087 13.552 -5.271 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.192 14.351 -3.994 1.00 1.14 H new ATOM 0 HG2 GLN B 30 11.209 15.787 -5.929 1.00 1.56 H new ATOM 0 HG3 GLN B 30 12.186 16.530 -4.679 1.00 1.56 H new ATOM 0 HE21 GLN B 30 13.575 17.737 -5.899 1.00 2.39 H new ATOM 0 HE22 GLN B 30 14.703 17.051 -7.072 1.00 2.39 H new ATOM 1000 N HIS B 31 12.656 15.030 -1.435 1.00 0.92 N ATOM 1001 CA HIS B 31 12.578 15.995 -0.342 1.00 1.01 C ATOM 1002 C HIS B 31 12.712 15.301 1.014 1.00 1.11 C ATOM 1003 O HIS B 31 11.802 15.350 1.841 1.00 1.33 O ATOM 1004 CB HIS B 31 11.264 16.778 -0.406 1.00 1.26 C ATOM 1005 CG HIS B 31 10.048 15.943 -0.147 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.532 15.066 -1.073 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.242 15.859 0.938 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.461 14.480 -0.573 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.264 14.942 0.648 1.00 3.18 N ATOM 0 H HIS B 31 12.194 14.140 -1.248 1.00 0.92 H new ATOM 0 HA HIS B 31 13.408 16.693 -0.454 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.299 17.588 0.323 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.174 17.238 -1.390 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.918 14.895 -2.002 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.349 16.411 1.860 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.849 13.747 -1.077 1.00 2.71 H new ATOM 1018 N PRO B 32 13.858 14.641 1.260 1.00 1.38 N ATOM 1019 CA PRO B 32 14.109 13.936 2.518 1.00 1.79 C ATOM 1020 C PRO B 32 14.480 14.885 3.651 1.00 1.86 C ATOM 1021 O PRO B 32 14.056 14.703 4.792 1.00 2.31 O ATOM 1022 CB PRO B 32 15.285 13.026 2.173 1.00 2.24 C ATOM 1023 CG PRO B 32 16.029 13.762 1.113 1.00 2.17 C ATOM 1024 CD PRO B 32 14.997 14.532 0.329 1.00 1.64 C ATOM 0 HA PRO B 32 13.227 13.404 2.876 1.00 1.79 H new ATOM 0 HB2 PRO B 32 15.914 12.843 3.044 1.00 2.24 H new ATOM 0 HB3 PRO B 32 14.943 12.054 1.816 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.766 14.435 1.551 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.572 13.071 0.468 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.369 15.514 0.035 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.717 14.009 -0.586 1.00 1.64 H new ATOM 1032 N ARG B 33 15.277 15.895 3.328 1.00 2.06 N ATOM 1033 CA ARG B 33 15.710 16.876 4.316 1.00 2.26 C ATOM 1034 C ARG B 33 14.897 18.161 4.200 1.00 3.01 C ATOM 1035 O ARG B 33 14.262 18.364 3.145 1.00 3.62 O ATOM 1036 CB ARG B 33 17.199 17.184 4.144 1.00 2.19 C ATOM 1037 CG ARG B 33 18.086 15.949 4.191 1.00 2.87 C ATOM 1038 CD ARG B 33 18.585 15.562 2.807 1.00 3.48 C ATOM 1039 NE ARG B 33 20.007 15.853 2.638 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.982 15.076 3.102 1.00 4.96 C ATOM 1041 NH1 ARG B 33 20.696 13.963 3.766 1.00 5.21 N ATOM 1042 NH2 ARG B 33 22.250 15.413 2.901 1.00 5.81 N ATOM 0 H ARG B 33 15.638 16.057 2.388 1.00 2.06 H new ATOM 0 HA ARG B 33 15.546 16.452 5.307 1.00 2.26 H new ATOM 0 HB2 ARG B 33 17.349 17.692 3.191 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.511 17.875 4.927 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.937 16.137 4.845 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.529 15.117 4.623 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.410 14.499 2.643 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.012 16.100 2.051 1.00 3.48 H new ATOM 0 HE ARG B 33 20.267 16.701 2.135 1.00 4.18 H new ATOM 0 HH11 ARG B 33 19.724 13.699 3.923 1.00 5.21 H new ATOM 0 HH12 ARG B 33 21.449 13.372 4.119 1.00 5.21 H new ATOM 0 HH21 ARG B 33 22.476 16.267 2.391 1.00 5.81 H new ATOM 0 HH22 ARG B 33 22.998 14.818 3.256 1.00 5.81 H new TER 1056 ARG B 33