USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 ASN : amide:sc= 1.47 K(o=2.3,f=-3.5!) USER MOD Set 1.2: A 49 THR OG1 : rot -170:sc= 0.855 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.0225 K(o=1.6,f=-5!) USER MOD Set 2.2: A 18 SER OG : rot -89:sc= 1.67 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0.472) USER MOD Set 3.2: A 29 TYR OH : rot -164:sc= 1.73 USER MOD Set 4.1: A 2 THR OG1 : rot -160:sc= 1.54 USER MOD Set 4.2: A 5 GLN : amide:sc= 0.673 K(o=2.2,f=-4.3!) USER MOD Single : A 1 LEU N :NH3+ -115:sc= -0.0378 (180deg=-1.33) USER MOD Single : A 9 SER OG : rot 65:sc= 1.15 USER MOD Single : A 10 HIS : no HE2:sc= 0.342 K(o=0.34,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0.899 (180deg=0.731) USER MOD Single : A 26 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.917 K(o=0.92,f=-0.29) USER MOD Single : A 33 GLN : amide:sc= 2.79 K(o=2.8,f=-5.7!) USER MOD Single : A 35 TYR OH : rot 13:sc= 1.29 USER MOD Single : A 37 SER OG : rot 157:sc= 1.29 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.516 K(o=0.52,f=-0.007) USER MOD Single : A 54 THR OG1 : rot -80:sc= 2 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0484 USER MOD Single : A 59 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 60 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-3.4!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.065 10.026 0.897 1.00 0.00 N ATOM 2 CA LEU A 1 13.873 9.236 0.610 1.00 0.00 C ATOM 3 C LEU A 1 12.835 9.412 1.728 1.00 0.00 C ATOM 4 O LEU A 1 13.187 9.721 2.868 1.00 0.00 O ATOM 5 CB LEU A 1 14.268 7.749 0.468 1.00 0.00 C ATOM 6 CG LEU A 1 14.702 7.324 -0.948 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.975 8.019 -1.438 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.953 5.812 -0.965 1.00 0.00 C ATOM 0 H1 LEU A 1 15.170 10.770 0.178 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.974 10.463 1.836 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.902 9.409 0.881 1.00 0.00 H new ATOM 0 HA LEU A 1 13.428 9.579 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.083 7.537 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.422 7.133 0.773 1.00 0.00 H new ATOM 0 HG LEU A 1 13.891 7.616 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.217 7.669 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.816 9.097 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.799 7.786 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.260 5.505 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.740 5.566 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.037 5.288 -0.690 1.00 0.00 H new ATOM 20 N THR A 2 11.560 9.159 1.421 1.00 0.00 N ATOM 21 CA THR A 2 10.475 9.112 2.405 1.00 0.00 C ATOM 22 C THR A 2 10.405 7.746 3.095 1.00 0.00 C ATOM 23 O THR A 2 10.942 6.761 2.593 1.00 0.00 O ATOM 24 CB THR A 2 9.107 9.368 1.751 1.00 0.00 C ATOM 25 OG1 THR A 2 8.788 8.281 0.909 1.00 0.00 O ATOM 26 CG2 THR A 2 9.037 10.689 0.982 1.00 0.00 C ATOM 0 H THR A 2 11.248 8.978 0.467 1.00 0.00 H new ATOM 0 HA THR A 2 10.695 9.893 3.133 1.00 0.00 H new ATOM 0 HB THR A 2 8.373 9.455 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.106 8.557 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.044 10.805 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.233 11.517 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.783 10.688 0.188 1.00 0.00 H new ATOM 34 N LYS A 3 9.636 7.645 4.189 1.00 0.00 N ATOM 35 CA LYS A 3 9.323 6.369 4.850 1.00 0.00 C ATOM 36 C LYS A 3 8.733 5.332 3.882 1.00 0.00 C ATOM 37 O LYS A 3 9.102 4.159 3.943 1.00 0.00 O ATOM 38 CB LYS A 3 8.403 6.648 6.049 1.00 0.00 C ATOM 39 CG LYS A 3 8.207 5.411 6.939 1.00 0.00 C ATOM 40 CD LYS A 3 7.441 5.730 8.234 1.00 0.00 C ATOM 41 CE LYS A 3 6.051 6.346 8.013 1.00 0.00 C ATOM 42 NZ LYS A 3 5.099 5.388 7.422 1.00 0.00 N ATOM 0 H LYS A 3 9.210 8.453 4.644 1.00 0.00 H new ATOM 0 HA LYS A 3 10.248 5.919 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.824 7.458 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.433 6.989 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.666 4.648 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.181 4.991 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.331 4.813 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.038 6.416 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.659 6.703 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.141 7.214 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.248 5.895 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.542 4.915 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.834 4.678 8.134 1.00 0.00 H new ATOM 56 N CYS A 4 7.893 5.779 2.937 1.00 0.00 N ATOM 57 CA CYS A 4 7.404 4.954 1.836 1.00 0.00 C ATOM 58 C CYS A 4 8.565 4.450 0.974 1.00 0.00 C ATOM 59 O CYS A 4 8.789 3.246 0.888 1.00 0.00 O ATOM 60 CB CYS A 4 6.377 5.731 0.999 1.00 0.00 C ATOM 61 SG CYS A 4 5.491 4.691 -0.187 1.00 0.00 S ATOM 0 H CYS A 4 7.534 6.734 2.920 1.00 0.00 H new ATOM 0 HA CYS A 4 6.904 4.080 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.657 6.204 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.886 6.531 0.462 1.00 0.00 H new ATOM 66 N GLN A 5 9.323 5.367 0.362 1.00 0.00 N ATOM 67 CA GLN A 5 10.418 5.030 -0.550 1.00 0.00 C ATOM 68 C GLN A 5 11.495 4.166 0.118 1.00 0.00 C ATOM 69 O GLN A 5 12.014 3.252 -0.522 1.00 0.00 O ATOM 70 CB GLN A 5 11.040 6.324 -1.084 1.00 0.00 C ATOM 71 CG GLN A 5 10.108 7.114 -2.015 1.00 0.00 C ATOM 72 CD GLN A 5 10.685 8.493 -2.319 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.150 9.203 -1.441 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.673 8.928 -3.565 1.00 0.00 N ATOM 0 H GLN A 5 9.191 6.371 0.488 1.00 0.00 H new ATOM 0 HA GLN A 5 10.003 4.441 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.321 6.957 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.957 6.082 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.963 6.563 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.128 7.220 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.287 8.343 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.050 9.849 -3.787 1.00 0.00 H new ATOM 83 N GLU A 6 11.801 4.415 1.397 1.00 0.00 N ATOM 84 CA GLU A 6 12.669 3.586 2.233 1.00 0.00 C ATOM 85 C GLU A 6 12.112 2.171 2.343 1.00 0.00 C ATOM 86 O GLU A 6 12.782 1.235 1.932 1.00 0.00 O ATOM 87 CB GLU A 6 12.798 4.195 3.634 1.00 0.00 C ATOM 88 CG GLU A 6 13.696 5.440 3.661 1.00 0.00 C ATOM 89 CD GLU A 6 13.723 6.082 5.049 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.673 6.634 5.448 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.789 6.003 5.697 1.00 0.00 O ATOM 0 H GLU A 6 11.437 5.228 1.893 1.00 0.00 H new ATOM 0 HA GLU A 6 13.653 3.546 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.807 4.459 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.202 3.446 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.709 5.166 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.337 6.165 2.931 1.00 0.00 H new ATOM 98 N GLU A 7 10.886 2.007 2.855 1.00 0.00 N ATOM 99 CA GLU A 7 10.264 0.687 3.005 1.00 0.00 C ATOM 100 C GLU A 7 10.211 -0.066 1.673 1.00 0.00 C ATOM 101 O GLU A 7 10.622 -1.226 1.606 1.00 0.00 O ATOM 102 CB GLU A 7 8.856 0.823 3.602 1.00 0.00 C ATOM 103 CG GLU A 7 8.906 1.114 5.111 1.00 0.00 C ATOM 104 CD GLU A 7 7.532 1.412 5.721 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.521 1.397 4.976 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.504 1.670 6.944 1.00 0.00 O ATOM 0 H GLU A 7 10.302 2.779 3.175 1.00 0.00 H new ATOM 0 HA GLU A 7 10.882 0.105 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.321 1.625 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.296 -0.095 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.345 0.258 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.565 1.964 5.288 1.00 0.00 H new ATOM 113 N VAL A 8 9.778 0.600 0.597 1.00 0.00 N ATOM 114 CA VAL A 8 9.735 0.009 -0.748 1.00 0.00 C ATOM 115 C VAL A 8 11.134 -0.417 -1.219 1.00 0.00 C ATOM 116 O VAL A 8 11.270 -1.449 -1.873 1.00 0.00 O ATOM 117 CB VAL A 8 9.061 0.969 -1.751 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.013 0.411 -3.180 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.593 1.201 -1.370 1.00 0.00 C ATOM 0 H VAL A 8 9.447 1.564 0.632 1.00 0.00 H new ATOM 0 HA VAL A 8 9.127 -0.894 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 8 9.662 1.878 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.527 1.133 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.028 0.225 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.450 -0.522 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.134 1.880 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.060 0.250 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.541 1.638 -0.373 1.00 0.00 H new ATOM 129 N SER A 9 12.171 0.329 -0.825 1.00 0.00 N ATOM 130 CA SER A 9 13.596 0.017 -1.025 1.00 0.00 C ATOM 131 C SER A 9 14.192 -0.948 0.019 1.00 0.00 C ATOM 132 O SER A 9 15.406 -1.168 0.003 1.00 0.00 O ATOM 133 CB SER A 9 14.435 1.306 -1.017 1.00 0.00 C ATOM 134 OG SER A 9 13.900 2.284 -1.884 1.00 0.00 O ATOM 0 H SER A 9 12.036 1.212 -0.333 1.00 0.00 H new ATOM 0 HA SER A 9 13.638 -0.484 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.480 1.704 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.458 1.076 -1.315 1.00 0.00 H new ATOM 0 HG SER A 9 13.017 2.560 -1.561 1.00 0.00 H new ATOM 140 N HIS A 10 13.406 -1.487 0.963 1.00 0.00 N ATOM 141 CA HIS A 10 13.893 -2.341 2.061 1.00 0.00 C ATOM 142 C HIS A 10 13.171 -3.695 2.151 1.00 0.00 C ATOM 143 O HIS A 10 13.760 -4.647 2.661 1.00 0.00 O ATOM 144 CB HIS A 10 13.848 -1.580 3.396 1.00 0.00 C ATOM 145 CG HIS A 10 14.767 -0.379 3.480 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.744 -0.022 2.575 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.728 0.592 4.445 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.274 1.143 2.986 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.690 1.554 4.122 1.00 0.00 N ATOM 0 H HIS A 10 12.397 -1.340 0.987 1.00 0.00 H new ATOM 0 HA HIS A 10 14.931 -2.583 1.833 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.825 -1.249 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.103 -2.271 4.199 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.016 -0.547 1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.071 0.611 5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.061 1.675 2.473 1.00 0.00 H new ATOM 157 N ILE A 11 11.939 -3.819 1.638 1.00 0.00 N ATOM 158 CA ILE A 11 11.298 -5.129 1.448 1.00 0.00 C ATOM 159 C ILE A 11 12.186 -5.927 0.455 1.00 0.00 C ATOM 160 O ILE A 11 12.615 -5.367 -0.559 1.00 0.00 O ATOM 161 CB ILE A 11 9.842 -4.959 0.938 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.920 -4.191 1.915 1.00 0.00 C ATOM 163 CG2 ILE A 11 9.190 -6.308 0.581 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.600 -4.894 3.234 1.00 0.00 C ATOM 0 H ILE A 11 11.365 -3.027 1.347 1.00 0.00 H new ATOM 0 HA ILE A 11 11.220 -5.674 2.389 1.00 0.00 H new ATOM 0 HB ILE A 11 9.942 -4.354 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.385 -3.232 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.981 -3.977 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.172 -6.138 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.769 -6.796 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.167 -6.946 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.947 -4.261 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.099 -5.840 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.525 -5.083 3.779 1.00 0.00 H new ATOM 176 N PRO A 12 12.522 -7.206 0.713 1.00 0.00 N ATOM 177 CA PRO A 12 13.435 -7.952 -0.155 1.00 0.00 C ATOM 178 C PRO A 12 12.827 -8.273 -1.533 1.00 0.00 C ATOM 179 O PRO A 12 11.653 -8.012 -1.803 1.00 0.00 O ATOM 180 CB PRO A 12 13.814 -9.208 0.644 1.00 0.00 C ATOM 181 CG PRO A 12 12.646 -9.410 1.607 1.00 0.00 C ATOM 182 CD PRO A 12 12.164 -7.988 1.886 1.00 0.00 C ATOM 0 HA PRO A 12 14.317 -7.362 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.944 -10.071 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.753 -9.070 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.860 -10.020 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.962 -9.913 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.087 -7.967 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.635 -7.585 2.782 1.00 0.00 H new ATOM 190 N ALA A 13 13.640 -8.851 -2.425 1.00 0.00 N ATOM 191 CA ALA A 13 13.165 -9.422 -3.687 1.00 0.00 C ATOM 192 C ALA A 13 12.419 -10.746 -3.436 1.00 0.00 C ATOM 193 O ALA A 13 11.320 -10.957 -3.947 1.00 0.00 O ATOM 194 CB ALA A 13 14.364 -9.623 -4.622 1.00 0.00 C ATOM 0 H ALA A 13 14.648 -8.935 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 13 12.458 -8.739 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.022 -10.048 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.844 -8.663 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.079 -10.301 -4.156 1.00 0.00 H new ATOM 200 N VAL A 14 12.993 -11.621 -2.599 1.00 0.00 N ATOM 201 CA VAL A 14 12.388 -12.875 -2.131 1.00 0.00 C ATOM 202 C VAL A 14 11.355 -12.550 -1.043 1.00 0.00 C ATOM 203 O VAL A 14 11.576 -12.763 0.147 1.00 0.00 O ATOM 204 CB VAL A 14 13.462 -13.886 -1.663 1.00 0.00 C ATOM 205 CG1 VAL A 14 12.840 -15.261 -1.366 1.00 0.00 C ATOM 206 CG2 VAL A 14 14.541 -14.103 -2.738 1.00 0.00 C ATOM 0 H VAL A 14 13.926 -11.469 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 14 11.872 -13.366 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 14 13.905 -13.461 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.619 -15.950 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.092 -15.160 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.367 -15.649 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.278 -14.819 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.078 -14.489 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 14 15.033 -13.155 -2.956 1.00 0.00 H new ATOM 216 N HIS A 15 10.233 -11.977 -1.479 1.00 0.00 N ATOM 217 CA HIS A 15 9.108 -11.554 -0.640 1.00 0.00 C ATOM 218 C HIS A 15 7.676 -11.932 -1.109 1.00 0.00 C ATOM 219 O HIS A 15 6.786 -11.829 -0.253 1.00 0.00 O ATOM 220 CB HIS A 15 9.223 -10.038 -0.391 1.00 0.00 C ATOM 221 CG HIS A 15 8.416 -9.197 -1.346 1.00 0.00 C ATOM 222 ND1 HIS A 15 7.162 -8.689 -1.096 1.00 0.00 N ATOM 223 CD2 HIS A 15 8.758 -8.860 -2.626 1.00 0.00 C ATOM 224 CE1 HIS A 15 6.750 -8.068 -2.214 1.00 0.00 C ATOM 225 NE2 HIS A 15 7.701 -8.120 -3.161 1.00 0.00 N ATOM 0 H HIS A 15 10.075 -11.786 -2.468 1.00 0.00 H new ATOM 0 HA HIS A 15 9.210 -12.135 0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.901 -9.822 0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.271 -9.747 -0.463 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.641 -8.769 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.677 -9.119 -3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.788 -7.593 -2.334 1.00 0.00 H new ATOM 233 N PRO A 16 7.386 -12.336 -2.377 1.00 0.00 N ATOM 234 CA PRO A 16 6.036 -12.689 -2.833 1.00 0.00 C ATOM 235 C PRO A 16 5.256 -13.581 -1.862 1.00 0.00 C ATOM 236 O PRO A 16 5.707 -14.658 -1.481 1.00 0.00 O ATOM 237 CB PRO A 16 6.207 -13.346 -4.204 1.00 0.00 C ATOM 238 CG PRO A 16 7.396 -12.583 -4.768 1.00 0.00 C ATOM 239 CD PRO A 16 8.274 -12.381 -3.535 1.00 0.00 C ATOM 0 HA PRO A 16 5.426 -11.788 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.408 -14.414 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.318 -13.235 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.911 -13.149 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.096 -11.634 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.993 -13.194 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.847 -11.457 -3.617 1.00 0.00 H new ATOM 247 N GLY A 17 4.091 -13.083 -1.439 1.00 0.00 N ATOM 248 CA GLY A 17 3.276 -13.634 -0.358 1.00 0.00 C ATOM 249 C GLY A 17 3.087 -12.598 0.753 1.00 0.00 C ATOM 250 O GLY A 17 1.968 -12.427 1.246 1.00 0.00 O ATOM 0 H GLY A 17 3.675 -12.252 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.305 -13.940 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.753 -14.527 0.046 1.00 0.00 H new ATOM 254 N SER A 18 4.154 -11.862 1.090 1.00 0.00 N ATOM 255 CA SER A 18 4.132 -10.685 1.970 1.00 0.00 C ATOM 256 C SER A 18 3.540 -9.440 1.285 1.00 0.00 C ATOM 257 O SER A 18 3.432 -9.377 0.058 1.00 0.00 O ATOM 258 CB SER A 18 5.555 -10.366 2.445 1.00 0.00 C ATOM 259 OG SER A 18 6.360 -9.944 1.363 1.00 0.00 O ATOM 0 H SER A 18 5.090 -12.077 0.745 1.00 0.00 H new ATOM 0 HA SER A 18 3.490 -10.934 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.523 -9.587 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.995 -11.248 2.910 1.00 0.00 H new ATOM 0 HG SER A 18 6.784 -10.724 0.947 1.00 0.00 H new ATOM 265 N PHE A 19 3.166 -8.435 2.086 1.00 0.00 N ATOM 266 CA PHE A 19 2.773 -7.108 1.607 1.00 0.00 C ATOM 267 C PHE A 19 4.000 -6.280 1.182 1.00 0.00 C ATOM 268 O PHE A 19 5.106 -6.480 1.686 1.00 0.00 O ATOM 269 CB PHE A 19 1.985 -6.395 2.724 1.00 0.00 C ATOM 270 CG PHE A 19 1.702 -4.918 2.486 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.818 -4.513 1.464 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.362 -3.940 3.257 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.597 -3.145 1.225 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.136 -2.573 3.017 1.00 0.00 C ATOM 275 CZ PHE A 19 1.252 -2.174 2.001 1.00 0.00 C ATOM 0 H PHE A 19 3.128 -8.524 3.101 1.00 0.00 H new ATOM 0 HA PHE A 19 2.143 -7.215 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.035 -6.912 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.540 -6.495 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.310 -5.254 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.045 -4.242 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.080 -2.839 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.643 -1.829 3.614 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.076 -1.124 1.817 1.00 0.00 H new ATOM 285 N ARG A 20 3.775 -5.303 0.294 1.00 0.00 N ATOM 286 CA ARG A 20 4.732 -4.266 -0.088 1.00 0.00 C ATOM 287 C ARG A 20 3.969 -2.958 -0.349 1.00 0.00 C ATOM 288 O ARG A 20 2.990 -2.995 -1.097 1.00 0.00 O ATOM 289 CB ARG A 20 5.503 -4.728 -1.332 1.00 0.00 C ATOM 290 CG ARG A 20 6.707 -3.830 -1.634 1.00 0.00 C ATOM 291 CD ARG A 20 7.478 -4.338 -2.855 1.00 0.00 C ATOM 292 NE ARG A 20 8.882 -3.912 -2.786 1.00 0.00 N ATOM 293 CZ ARG A 20 9.948 -4.689 -2.659 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.894 -6.001 -2.716 1.00 0.00 N ATOM 295 NH2 ARG A 20 11.102 -4.128 -2.398 1.00 0.00 N ATOM 0 H ARG A 20 2.885 -5.213 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 20 5.453 -4.089 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.844 -5.753 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.832 -4.735 -2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.368 -2.809 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.369 -3.800 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.423 -5.426 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.020 -3.956 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 20 9.055 -2.908 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.000 -6.469 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.746 -6.552 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.165 -3.115 -2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.938 -4.704 -2.296 1.00 0.00 H new ATOM 309 N PRO A 21 4.362 -1.821 0.258 1.00 0.00 N ATOM 310 CA PRO A 21 3.740 -0.533 -0.030 1.00 0.00 C ATOM 311 C PRO A 21 4.114 -0.003 -1.427 1.00 0.00 C ATOM 312 O PRO A 21 4.930 -0.587 -2.139 1.00 0.00 O ATOM 313 CB PRO A 21 4.191 0.391 1.107 1.00 0.00 C ATOM 314 CG PRO A 21 5.532 -0.189 1.554 1.00 0.00 C ATOM 315 CD PRO A 21 5.402 -1.683 1.268 1.00 0.00 C ATOM 0 HA PRO A 21 2.653 -0.605 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.297 1.420 0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.469 0.399 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.362 0.252 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.716 0.000 2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.347 -2.093 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.139 -2.230 2.173 1.00 0.00 H new ATOM 323 N LYS A 22 3.507 1.122 -1.816 1.00 0.00 N ATOM 324 CA LYS A 22 3.783 1.858 -3.056 1.00 0.00 C ATOM 325 C LYS A 22 3.590 3.368 -2.858 1.00 0.00 C ATOM 326 O LYS A 22 2.805 3.792 -2.005 1.00 0.00 O ATOM 327 CB LYS A 22 2.965 1.283 -4.232 1.00 0.00 C ATOM 328 CG LYS A 22 1.439 1.118 -4.036 1.00 0.00 C ATOM 329 CD LYS A 22 0.971 -0.162 -3.310 1.00 0.00 C ATOM 330 CE LYS A 22 1.375 -1.445 -4.044 1.00 0.00 C ATOM 331 NZ LYS A 22 1.063 -2.649 -3.253 1.00 0.00 N ATOM 0 H LYS A 22 2.780 1.564 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 22 4.832 1.721 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.124 1.927 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.378 0.306 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.072 1.980 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.964 1.147 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.391 -0.177 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.113 -0.137 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.857 -1.495 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.443 -1.419 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.092 -3.486 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.763 -2.755 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.113 -2.556 -2.840 1.00 0.00 H new ATOM 345 N CYS A 23 4.289 4.180 -3.661 1.00 0.00 N ATOM 346 CA CYS A 23 4.418 5.630 -3.469 1.00 0.00 C ATOM 347 C CYS A 23 4.144 6.431 -4.745 1.00 0.00 C ATOM 348 O CYS A 23 4.218 5.913 -5.857 1.00 0.00 O ATOM 349 CB CYS A 23 5.839 5.950 -2.955 1.00 0.00 C ATOM 350 SG CYS A 23 6.638 4.735 -1.864 1.00 0.00 S ATOM 0 H CYS A 23 4.792 3.840 -4.481 1.00 0.00 H new ATOM 0 HA CYS A 23 3.664 5.927 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.484 6.097 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.797 6.901 -2.424 1.00 0.00 H new ATOM 355 N ASP A 24 3.823 7.712 -4.561 1.00 0.00 N ATOM 356 CA ASP A 24 3.443 8.656 -5.601 1.00 0.00 C ATOM 357 C ASP A 24 4.614 9.525 -6.108 1.00 0.00 C ATOM 358 O ASP A 24 5.744 9.425 -5.635 1.00 0.00 O ATOM 359 CB ASP A 24 2.234 9.479 -5.104 1.00 0.00 C ATOM 360 CG ASP A 24 2.493 10.314 -3.848 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.588 10.915 -3.754 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.575 10.361 -3.002 1.00 0.00 O ATOM 0 H ASP A 24 3.822 8.136 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 24 3.146 8.096 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.913 10.145 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.407 8.798 -4.905 1.00 0.00 H new ATOM 367 N GLU A 25 4.334 10.421 -7.062 1.00 0.00 N ATOM 368 CA GLU A 25 5.301 11.361 -7.659 1.00 0.00 C ATOM 369 C GLU A 25 5.923 12.366 -6.670 1.00 0.00 C ATOM 370 O GLU A 25 6.954 12.957 -6.973 1.00 0.00 O ATOM 371 CB GLU A 25 4.654 12.094 -8.853 1.00 0.00 C ATOM 372 CG GLU A 25 3.602 13.166 -8.498 1.00 0.00 C ATOM 373 CD GLU A 25 2.448 12.625 -7.650 1.00 0.00 C ATOM 374 OE1 GLU A 25 1.834 11.628 -8.088 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.254 13.152 -6.531 1.00 0.00 O ATOM 0 H GLU A 25 3.398 10.518 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 25 6.138 10.751 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.445 12.568 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.184 11.352 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.089 13.979 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.200 13.589 -9.418 1.00 0.00 H new ATOM 382 N ASN A 26 5.326 12.533 -5.484 1.00 0.00 N ATOM 383 CA ASN A 26 5.866 13.293 -4.351 1.00 0.00 C ATOM 384 C ASN A 26 6.534 12.369 -3.307 1.00 0.00 C ATOM 385 O ASN A 26 6.765 12.781 -2.169 1.00 0.00 O ATOM 386 CB ASN A 26 4.739 14.159 -3.752 1.00 0.00 C ATOM 387 CG ASN A 26 4.481 15.411 -4.575 1.00 0.00 C ATOM 388 OD1 ASN A 26 5.165 16.411 -4.439 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.490 15.414 -5.440 1.00 0.00 N ATOM 0 H ASN A 26 4.414 12.124 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 26 6.660 13.953 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.824 13.571 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.003 14.443 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.298 16.250 -5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.914 14.581 -5.559 1.00 0.00 H new ATOM 396 N GLY A 27 6.799 11.101 -3.652 1.00 0.00 N ATOM 397 CA GLY A 27 7.430 10.098 -2.794 1.00 0.00 C ATOM 398 C GLY A 27 6.595 9.675 -1.584 1.00 0.00 C ATOM 399 O GLY A 27 7.063 8.876 -0.777 1.00 0.00 O ATOM 0 H GLY A 27 6.568 10.735 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.651 9.214 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.384 10.490 -2.441 1.00 0.00 H new ATOM 403 N ASN A 28 5.378 10.197 -1.429 1.00 0.00 N ATOM 404 CA ASN A 28 4.476 9.886 -0.325 1.00 0.00 C ATOM 405 C ASN A 28 3.723 8.591 -0.653 1.00 0.00 C ATOM 406 O ASN A 28 3.714 8.167 -1.811 1.00 0.00 O ATOM 407 CB ASN A 28 3.538 11.087 -0.118 1.00 0.00 C ATOM 408 CG ASN A 28 4.181 12.217 0.679 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.749 12.539 1.775 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.220 12.865 0.187 1.00 0.00 N ATOM 0 H ASN A 28 4.983 10.867 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 28 5.015 9.719 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.225 11.468 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.638 10.753 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.649 13.621 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.594 12.610 -0.727 1.00 0.00 H new ATOM 417 N TYR A 29 3.093 7.953 0.340 1.00 0.00 N ATOM 418 CA TYR A 29 2.346 6.716 0.099 1.00 0.00 C ATOM 419 C TYR A 29 1.222 6.976 -0.905 1.00 0.00 C ATOM 420 O TYR A 29 0.444 7.916 -0.732 1.00 0.00 O ATOM 421 CB TYR A 29 1.789 6.133 1.402 1.00 0.00 C ATOM 422 CG TYR A 29 2.835 5.520 2.313 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.590 6.346 3.167 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.046 4.126 2.322 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.541 5.790 4.035 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.002 3.561 3.189 1.00 0.00 C ATOM 427 CZ TYR A 29 4.746 4.399 4.050 1.00 0.00 C ATOM 428 OH TYR A 29 5.682 3.889 4.889 1.00 0.00 O ATOM 0 H TYR A 29 3.086 8.270 1.309 1.00 0.00 H new ATOM 0 HA TYR A 29 3.031 5.978 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.269 6.922 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.047 5.372 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.436 7.415 3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.474 3.490 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.115 6.429 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.165 2.493 3.196 1.00 0.00 H new ATOM 0 HH TYR A 29 5.897 2.971 4.621 1.00 0.00 H new ATOM 438 N LEU A 30 1.146 6.147 -1.956 1.00 0.00 N ATOM 439 CA LEU A 30 0.079 6.238 -2.950 1.00 0.00 C ATOM 440 C LEU A 30 -1.280 6.164 -2.224 1.00 0.00 C ATOM 441 O LEU A 30 -1.454 5.220 -1.451 1.00 0.00 O ATOM 442 CB LEU A 30 0.196 5.113 -4.002 1.00 0.00 C ATOM 443 CG LEU A 30 0.713 5.592 -5.368 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.129 4.395 -6.223 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.340 6.396 -6.134 1.00 0.00 C ATOM 0 H LEU A 30 1.819 5.402 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 30 0.164 7.186 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.864 4.341 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.782 4.650 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 30 1.568 6.239 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.493 4.746 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.920 3.843 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.270 3.741 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.071 6.713 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.220 5.775 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.622 7.273 -5.552 1.00 0.00 H new ATOM 457 N PRO A 31 -2.237 7.095 -2.438 1.00 0.00 N ATOM 458 CA PRO A 31 -3.505 7.148 -1.699 1.00 0.00 C ATOM 459 C PRO A 31 -4.325 5.850 -1.638 1.00 0.00 C ATOM 460 O PRO A 31 -5.163 5.728 -0.752 1.00 0.00 O ATOM 461 CB PRO A 31 -4.311 8.276 -2.347 1.00 0.00 C ATOM 462 CG PRO A 31 -3.220 9.235 -2.811 1.00 0.00 C ATOM 463 CD PRO A 31 -2.103 8.293 -3.257 1.00 0.00 C ATOM 0 HA PRO A 31 -3.272 7.318 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.916 7.916 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.992 8.748 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.562 9.871 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.894 9.895 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.194 8.054 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.125 8.754 -3.117 1.00 0.00 H new ATOM 471 N LEU A 32 -4.071 4.888 -2.534 1.00 0.00 N ATOM 472 CA LEU A 32 -4.572 3.514 -2.515 1.00 0.00 C ATOM 473 C LEU A 32 -3.388 2.565 -2.267 1.00 0.00 C ATOM 474 O LEU A 32 -2.366 2.662 -2.949 1.00 0.00 O ATOM 475 CB LEU A 32 -5.234 3.212 -3.875 1.00 0.00 C ATOM 476 CG LEU A 32 -5.854 1.802 -3.984 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.212 1.705 -3.296 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.054 1.431 -5.456 1.00 0.00 C ATOM 0 H LEU A 32 -3.472 5.063 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.309 3.378 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.012 3.953 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.489 3.330 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.160 1.121 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.603 0.693 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.101 1.941 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.904 2.411 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.492 0.435 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.721 2.153 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.092 1.440 -5.968 1.00 0.00 H new ATOM 490 N GLN A 33 -3.542 1.614 -1.340 1.00 0.00 N ATOM 491 CA GLN A 33 -2.610 0.499 -1.138 1.00 0.00 C ATOM 492 C GLN A 33 -3.392 -0.820 -1.230 1.00 0.00 C ATOM 493 O GLN A 33 -4.581 -0.864 -0.908 1.00 0.00 O ATOM 494 CB GLN A 33 -1.909 0.603 0.228 1.00 0.00 C ATOM 495 CG GLN A 33 -1.140 1.904 0.509 1.00 0.00 C ATOM 496 CD GLN A 33 0.163 2.080 -0.266 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.114 1.321 -0.129 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.295 3.133 -1.039 1.00 0.00 N ATOM 0 H GLN A 33 -4.333 1.597 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.840 0.534 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.661 0.476 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.213 -0.231 0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.793 2.747 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.917 1.950 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.487 3.775 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.180 3.309 -1.515 1.00 0.00 H new ATOM 507 N CYS A 34 -2.723 -1.902 -1.645 1.00 0.00 N ATOM 508 CA CYS A 34 -3.333 -3.225 -1.799 1.00 0.00 C ATOM 509 C CYS A 34 -2.390 -4.349 -1.356 1.00 0.00 C ATOM 510 O CYS A 34 -1.170 -4.195 -1.390 1.00 0.00 O ATOM 511 CB CYS A 34 -3.754 -3.438 -3.262 1.00 0.00 C ATOM 512 SG CYS A 34 -4.956 -2.277 -3.970 1.00 0.00 S ATOM 0 H CYS A 34 -1.732 -1.882 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.210 -3.261 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.855 -3.407 -3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.166 -4.443 -3.350 1.00 0.00 H new ATOM 517 N TYR A 35 -2.973 -5.500 -1.005 1.00 0.00 N ATOM 518 CA TYR A 35 -2.279 -6.717 -0.599 1.00 0.00 C ATOM 519 C TYR A 35 -2.856 -7.942 -1.328 1.00 0.00 C ATOM 520 O TYR A 35 -3.838 -8.555 -0.898 1.00 0.00 O ATOM 521 CB TYR A 35 -2.301 -6.859 0.931 1.00 0.00 C ATOM 522 CG TYR A 35 -1.506 -8.025 1.500 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.463 -8.632 0.769 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.804 -8.496 2.795 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.242 -9.716 1.307 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.088 -9.578 3.343 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.064 -10.198 2.596 1.00 0.00 C ATOM 528 OH TYR A 35 0.620 -11.256 3.111 1.00 0.00 O ATOM 0 H TYR A 35 -3.987 -5.609 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.232 -6.651 -0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.920 -5.936 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.338 -6.959 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.207 -8.258 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.586 -8.024 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.025 -10.186 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.323 -9.933 4.335 1.00 0.00 H new ATOM 0 HH TYR A 35 1.413 -11.432 2.562 1.00 0.00 H new ATOM 538 N GLY A 36 -2.224 -8.283 -2.459 1.00 0.00 N ATOM 539 CA GLY A 36 -2.674 -9.311 -3.400 1.00 0.00 C ATOM 540 C GLY A 36 -2.914 -10.693 -2.786 1.00 0.00 C ATOM 541 O GLY A 36 -3.881 -11.345 -3.171 1.00 0.00 O ATOM 0 H GLY A 36 -1.356 -7.834 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.598 -8.973 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.932 -9.406 -4.192 1.00 0.00 H new ATOM 545 N SER A 37 -2.104 -11.121 -1.806 1.00 0.00 N ATOM 546 CA SER A 37 -2.201 -12.444 -1.163 1.00 0.00 C ATOM 547 C SER A 37 -3.560 -12.739 -0.517 1.00 0.00 C ATOM 548 O SER A 37 -3.893 -13.905 -0.318 1.00 0.00 O ATOM 549 CB SER A 37 -1.124 -12.591 -0.083 1.00 0.00 C ATOM 550 OG SER A 37 0.151 -12.283 -0.604 1.00 0.00 O ATOM 0 H SER A 37 -1.349 -10.548 -1.430 1.00 0.00 H new ATOM 0 HA SER A 37 -2.063 -13.160 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.349 -11.931 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.127 -13.610 0.305 1.00 0.00 H new ATOM 0 HG SER A 37 0.751 -12.029 0.128 1.00 0.00 H new ATOM 556 N ILE A 38 -4.346 -11.700 -0.210 1.00 0.00 N ATOM 557 CA ILE A 38 -5.712 -11.779 0.304 1.00 0.00 C ATOM 558 C ILE A 38 -6.714 -11.014 -0.584 1.00 0.00 C ATOM 559 O ILE A 38 -7.894 -10.944 -0.252 1.00 0.00 O ATOM 560 CB ILE A 38 -5.732 -11.298 1.771 1.00 0.00 C ATOM 561 CG1 ILE A 38 -5.169 -9.868 1.935 1.00 0.00 C ATOM 562 CG2 ILE A 38 -4.995 -12.305 2.672 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.381 -9.286 3.338 1.00 0.00 C ATOM 0 H ILE A 38 -4.028 -10.737 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.040 -12.818 0.277 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.774 -11.249 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.102 -9.878 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.642 -9.213 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.016 -11.954 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.485 -13.276 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.960 -12.399 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.962 -8.281 3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.448 -9.244 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.884 -9.919 4.073 1.00 0.00 H new ATOM 575 N GLY A 39 -6.260 -10.435 -1.705 1.00 0.00 N ATOM 576 CA GLY A 39 -7.069 -9.647 -2.638 1.00 0.00 C ATOM 577 C GLY A 39 -7.520 -8.281 -2.106 1.00 0.00 C ATOM 578 O GLY A 39 -8.411 -7.673 -2.693 1.00 0.00 O ATOM 0 H GLY A 39 -5.285 -10.507 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.496 -9.494 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.953 -10.225 -2.908 1.00 0.00 H new ATOM 582 N TYR A 40 -6.965 -7.805 -0.985 1.00 0.00 N ATOM 583 CA TYR A 40 -7.464 -6.598 -0.318 1.00 0.00 C ATOM 584 C TYR A 40 -6.850 -5.305 -0.864 1.00 0.00 C ATOM 585 O TYR A 40 -5.708 -5.290 -1.319 1.00 0.00 O ATOM 586 CB TYR A 40 -7.156 -6.629 1.193 1.00 0.00 C ATOM 587 CG TYR A 40 -8.093 -7.395 2.113 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.832 -8.511 1.673 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.179 -6.993 3.462 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.620 -9.244 2.580 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.981 -7.708 4.369 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.698 -8.841 3.932 1.00 0.00 C ATOM 593 OH TYR A 40 -10.467 -9.531 4.814 1.00 0.00 O ATOM 0 H TYR A 40 -6.168 -8.239 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.537 -6.599 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.156 -7.045 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.118 -5.598 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.794 -8.805 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.625 -6.130 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.165 -10.114 2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.048 -7.390 5.399 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.402 -9.116 5.699 1.00 0.00 H new ATOM 603 N CYS A 41 -7.585 -4.204 -0.691 1.00 0.00 N ATOM 604 CA CYS A 41 -7.130 -2.829 -0.854 1.00 0.00 C ATOM 605 C CYS A 41 -7.738 -1.955 0.243 1.00 0.00 C ATOM 606 O CYS A 41 -8.778 -2.281 0.819 1.00 0.00 O ATOM 607 CB CYS A 41 -7.464 -2.243 -2.227 1.00 0.00 C ATOM 608 SG CYS A 41 -6.798 -3.114 -3.667 1.00 0.00 S ATOM 0 H CYS A 41 -8.567 -4.255 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.043 -2.842 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.549 -2.203 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.104 -1.215 -2.255 1.00 0.00 H new ATOM 613 N TRP A 42 -7.079 -0.834 0.515 1.00 0.00 N ATOM 614 CA TRP A 42 -7.550 0.239 1.383 1.00 0.00 C ATOM 615 C TRP A 42 -6.979 1.567 0.885 1.00 0.00 C ATOM 616 O TRP A 42 -5.984 1.600 0.153 1.00 0.00 O ATOM 617 CB TRP A 42 -7.127 -0.037 2.832 1.00 0.00 C ATOM 618 CG TRP A 42 -5.653 -0.176 3.056 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.819 0.823 3.424 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.816 -1.359 2.865 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.536 0.324 3.540 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.471 -1.002 3.173 1.00 0.00 C ATOM 623 CE3 TRP A 42 -5.050 -2.695 2.468 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.409 -1.909 3.079 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.989 -3.616 2.362 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.672 -3.226 2.667 1.00 0.00 C ATOM 0 H TRP A 42 -6.160 -0.640 0.118 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.638 0.292 1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.498 0.772 3.461 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.616 -0.952 3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.110 1.848 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.736 0.870 3.858 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.057 -3.015 2.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.402 -1.601 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.188 -4.629 2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.864 -3.938 2.584 1.00 0.00 H new ATOM 637 N CYS A 43 -7.573 2.675 1.325 1.00 0.00 N ATOM 638 CA CYS A 43 -6.992 3.990 1.100 1.00 0.00 C ATOM 639 C CYS A 43 -6.068 4.343 2.265 1.00 0.00 C ATOM 640 O CYS A 43 -6.306 3.916 3.398 1.00 0.00 O ATOM 641 CB CYS A 43 -8.082 5.054 0.951 1.00 0.00 C ATOM 642 SG CYS A 43 -9.220 4.791 -0.430 1.00 0.00 S ATOM 0 H CYS A 43 -8.455 2.685 1.838 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.419 3.965 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.659 5.094 1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.606 6.027 0.830 1.00 0.00 H new ATOM 647 N VAL A 44 -5.055 5.168 2.001 1.00 0.00 N ATOM 648 CA VAL A 44 -4.136 5.708 3.006 1.00 0.00 C ATOM 649 C VAL A 44 -3.997 7.221 2.867 1.00 0.00 C ATOM 650 O VAL A 44 -4.146 7.785 1.783 1.00 0.00 O ATOM 651 CB VAL A 44 -2.727 5.075 2.940 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.744 3.573 3.234 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.031 5.302 1.595 1.00 0.00 C ATOM 0 H VAL A 44 -4.844 5.489 1.056 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.577 5.457 3.970 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.161 5.587 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.729 3.179 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.141 3.403 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.373 3.066 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.047 4.834 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.629 4.862 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.921 6.372 1.418 1.00 0.00 H new ATOM 663 N PHE A 45 -3.675 7.873 3.981 1.00 0.00 N ATOM 664 CA PHE A 45 -3.226 9.257 3.998 1.00 0.00 C ATOM 665 C PHE A 45 -1.747 9.280 3.530 1.00 0.00 C ATOM 666 O PHE A 45 -1.086 8.236 3.564 1.00 0.00 O ATOM 667 CB PHE A 45 -3.419 9.809 5.419 1.00 0.00 C ATOM 668 CG PHE A 45 -4.868 9.820 5.885 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.774 10.752 5.345 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.313 8.898 6.853 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.116 10.765 5.772 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.653 8.907 7.277 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.554 9.844 6.740 1.00 0.00 C ATOM 0 H PHE A 45 -3.720 7.448 4.907 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.799 9.894 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.829 9.211 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.027 10.825 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.439 11.459 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.622 8.181 7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.808 11.482 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.991 8.195 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.582 9.856 7.071 1.00 0.00 H new ATOM 683 N PRO A 46 -1.183 10.427 3.098 1.00 0.00 N ATOM 684 CA PRO A 46 0.158 10.498 2.493 1.00 0.00 C ATOM 685 C PRO A 46 1.310 9.876 3.307 1.00 0.00 C ATOM 686 O PRO A 46 2.318 9.469 2.727 1.00 0.00 O ATOM 687 CB PRO A 46 0.406 11.990 2.246 1.00 0.00 C ATOM 688 CG PRO A 46 -0.998 12.548 2.034 1.00 0.00 C ATOM 689 CD PRO A 46 -1.845 11.722 2.998 1.00 0.00 C ATOM 0 HA PRO A 46 0.160 9.891 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.902 12.461 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.040 12.154 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.048 13.612 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.328 12.428 1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.910 12.204 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.864 11.613 2.628 1.00 0.00 H new ATOM 697 N ASN A 47 1.154 9.769 4.635 1.00 0.00 N ATOM 698 CA ASN A 47 2.073 9.146 5.581 1.00 0.00 C ATOM 699 C ASN A 47 1.979 7.604 5.662 1.00 0.00 C ATOM 700 O ASN A 47 2.799 6.993 6.346 1.00 0.00 O ATOM 701 CB ASN A 47 1.809 9.754 6.972 1.00 0.00 C ATOM 702 CG ASN A 47 0.595 9.123 7.647 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.436 8.897 7.029 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.710 8.759 8.906 1.00 0.00 N ATOM 0 H ASN A 47 0.326 10.142 5.100 1.00 0.00 H new ATOM 0 HA ASN A 47 3.082 9.351 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.688 9.615 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.653 10.828 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.063 8.285 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.573 8.951 9.416 1.00 0.00 H new ATOM 711 N GLY A 48 0.975 6.987 5.023 1.00 0.00 N ATOM 712 CA GLY A 48 0.732 5.542 5.022 1.00 0.00 C ATOM 713 C GLY A 48 -0.320 5.049 6.026 1.00 0.00 C ATOM 714 O GLY A 48 -0.599 3.852 6.048 1.00 0.00 O ATOM 0 H GLY A 48 0.286 7.501 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.421 5.244 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.673 5.033 5.229 1.00 0.00 H new ATOM 718 N THR A 49 -0.923 5.927 6.842 1.00 0.00 N ATOM 719 CA THR A 49 -2.009 5.552 7.764 1.00 0.00 C ATOM 720 C THR A 49 -3.275 5.293 6.955 1.00 0.00 C ATOM 721 O THR A 49 -3.663 6.137 6.151 1.00 0.00 O ATOM 722 CB THR A 49 -2.266 6.655 8.806 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.136 6.800 9.639 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.435 6.342 9.742 1.00 0.00 C ATOM 0 H THR A 49 -0.673 6.915 6.882 1.00 0.00 H new ATOM 0 HA THR A 49 -1.716 4.651 8.303 1.00 0.00 H new ATOM 0 HB THR A 49 -2.489 7.553 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.358 7.385 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.562 7.160 10.452 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.347 6.224 9.158 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.230 5.419 10.285 1.00 0.00 H new ATOM 732 N GLU A 50 -3.916 4.135 7.137 1.00 0.00 N ATOM 733 CA GLU A 50 -5.121 3.791 6.379 1.00 0.00 C ATOM 734 C GLU A 50 -6.373 4.587 6.779 1.00 0.00 C ATOM 735 O GLU A 50 -6.440 5.201 7.842 1.00 0.00 O ATOM 736 CB GLU A 50 -5.403 2.278 6.431 1.00 0.00 C ATOM 737 CG GLU A 50 -5.833 1.714 7.793 1.00 0.00 C ATOM 738 CD GLU A 50 -4.632 1.211 8.595 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.903 2.070 9.141 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.433 -0.028 8.597 1.00 0.00 O ATOM 0 H GLU A 50 -3.620 3.421 7.802 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.899 4.081 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.183 2.050 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.504 1.751 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.353 2.486 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.540 0.898 7.643 1.00 0.00 H new ATOM 747 N VAL A 51 -7.391 4.504 5.918 1.00 0.00 N ATOM 748 CA VAL A 51 -8.765 4.942 6.166 1.00 0.00 C ATOM 749 C VAL A 51 -9.524 3.644 6.518 1.00 0.00 C ATOM 750 O VAL A 51 -9.989 2.954 5.600 1.00 0.00 O ATOM 751 CB VAL A 51 -9.345 5.679 4.940 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.757 6.196 5.250 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.469 6.874 4.540 1.00 0.00 C ATOM 0 H VAL A 51 -7.272 4.110 4.984 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.844 5.669 6.974 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.375 4.965 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.155 6.714 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.405 5.356 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.715 6.886 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.905 7.371 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.411 7.577 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.467 6.524 4.291 1.00 0.00 H new ATOM 763 N PRO A 52 -9.646 3.270 7.814 1.00 0.00 N ATOM 764 CA PRO A 52 -10.088 1.947 8.298 1.00 0.00 C ATOM 765 C PRO A 52 -11.556 1.553 8.074 1.00 0.00 C ATOM 766 O PRO A 52 -12.102 0.690 8.760 1.00 0.00 O ATOM 767 CB PRO A 52 -9.676 1.910 9.776 1.00 0.00 C ATOM 768 CG PRO A 52 -9.838 3.366 10.197 1.00 0.00 C ATOM 769 CD PRO A 52 -9.317 4.104 8.967 1.00 0.00 C ATOM 0 HA PRO A 52 -9.606 1.182 7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.313 1.245 10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.651 1.562 9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.876 3.616 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.259 3.600 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.779 5.087 8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.241 4.263 9.037 1.00 0.00 H new ATOM 777 N ASN A 53 -12.203 2.163 7.089 1.00 0.00 N ATOM 778 CA ASN A 53 -13.508 1.793 6.555 1.00 0.00 C ATOM 779 C ASN A 53 -13.475 1.553 5.034 1.00 0.00 C ATOM 780 O ASN A 53 -14.470 1.125 4.461 1.00 0.00 O ATOM 781 CB ASN A 53 -14.570 2.837 6.960 1.00 0.00 C ATOM 782 CG ASN A 53 -14.981 2.882 8.432 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.818 3.684 8.812 1.00 0.00 O ATOM 784 ND2 ASN A 53 -14.453 2.057 9.316 1.00 0.00 N ATOM 0 H ASN A 53 -11.809 2.975 6.614 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.790 0.838 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.197 3.823 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.465 2.656 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.747 2.099 10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.751 1.377 9.023 1.00 0.00 H new ATOM 791 N THR A 54 -12.323 1.770 4.384 1.00 0.00 N ATOM 792 CA THR A 54 -12.104 1.454 2.966 1.00 0.00 C ATOM 793 C THR A 54 -11.691 0.006 2.734 1.00 0.00 C ATOM 794 O THR A 54 -11.859 -0.476 1.620 1.00 0.00 O ATOM 795 CB THR A 54 -11.034 2.364 2.344 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.811 2.305 3.059 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.532 3.810 2.321 1.00 0.00 C ATOM 0 H THR A 54 -11.504 2.177 4.836 1.00 0.00 H new ATOM 0 HA THR A 54 -13.068 1.622 2.486 1.00 0.00 H new ATOM 0 HB THR A 54 -10.853 2.010 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.870 2.872 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.769 4.451 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.445 3.871 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.738 4.140 3.339 1.00 0.00 H new ATOM 805 N ARG A 55 -11.167 -0.686 3.759 1.00 0.00 N ATOM 806 CA ARG A 55 -10.530 -2.002 3.649 1.00 0.00 C ATOM 807 C ARG A 55 -11.459 -3.056 3.034 1.00 0.00 C ATOM 808 O ARG A 55 -12.283 -3.658 3.726 1.00 0.00 O ATOM 809 CB ARG A 55 -9.943 -2.394 5.012 1.00 0.00 C ATOM 810 CG ARG A 55 -9.086 -3.668 4.912 1.00 0.00 C ATOM 811 CD ARG A 55 -7.991 -3.690 5.983 1.00 0.00 C ATOM 812 NE ARG A 55 -6.940 -2.706 5.672 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.124 -2.106 6.527 1.00 0.00 C ATOM 814 NH1 ARG A 55 -6.185 -2.310 7.820 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.206 -1.267 6.114 1.00 0.00 N ATOM 0 H ARG A 55 -11.177 -0.331 4.715 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.702 -1.945 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.335 -1.575 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.752 -2.553 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.722 -4.546 5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.631 -3.726 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.425 -3.470 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.556 -4.687 6.045 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.828 -2.459 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.880 -2.951 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.538 -1.828 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.110 -1.066 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.588 -0.815 6.788 1.00 0.00 H new ATOM 829 N SER A 56 -11.293 -3.286 1.728 1.00 0.00 N ATOM 830 CA SER A 56 -12.181 -4.072 0.865 1.00 0.00 C ATOM 831 C SER A 56 -11.406 -5.083 0.013 1.00 0.00 C ATOM 832 O SER A 56 -10.190 -4.987 -0.109 1.00 0.00 O ATOM 833 CB SER A 56 -12.989 -3.113 -0.017 1.00 0.00 C ATOM 834 OG SER A 56 -13.993 -3.830 -0.711 1.00 0.00 O ATOM 0 H SER A 56 -10.494 -2.910 1.217 1.00 0.00 H new ATOM 0 HA SER A 56 -12.857 -4.652 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.443 -2.335 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.329 -2.614 -0.727 1.00 0.00 H new ATOM 0 HG SER A 56 -14.508 -3.213 -1.272 1.00 0.00 H new ATOM 840 N ARG A 57 -12.116 -6.016 -0.634 1.00 0.00 N ATOM 841 CA ARG A 57 -11.620 -7.081 -1.529 1.00 0.00 C ATOM 842 C ARG A 57 -11.332 -6.563 -2.957 1.00 0.00 C ATOM 843 O ARG A 57 -11.343 -7.320 -3.926 1.00 0.00 O ATOM 844 CB ARG A 57 -12.628 -8.256 -1.532 1.00 0.00 C ATOM 845 CG ARG A 57 -12.593 -9.188 -0.304 1.00 0.00 C ATOM 846 CD ARG A 57 -13.239 -8.641 0.976 1.00 0.00 C ATOM 847 NE ARG A 57 -12.280 -7.901 1.808 1.00 0.00 N ATOM 848 CZ ARG A 57 -12.557 -6.930 2.662 1.00 0.00 C ATOM 849 NH1 ARG A 57 -13.785 -6.532 2.900 1.00 0.00 N ATOM 850 NH2 ARG A 57 -11.592 -6.293 3.275 1.00 0.00 N ATOM 0 H ARG A 57 -13.131 -6.053 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.663 -7.436 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.633 -7.844 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.450 -8.857 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.090 -10.122 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.553 -9.431 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.069 -7.986 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.656 -9.467 1.552 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.299 -8.164 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.567 -6.976 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.957 -5.779 3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.620 -6.545 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.812 -5.545 3.933 1.00 0.00 H new ATOM 864 N GLY A 58 -11.120 -5.253 -3.099 1.00 0.00 N ATOM 865 CA GLY A 58 -10.827 -4.589 -4.368 1.00 0.00 C ATOM 866 C GLY A 58 -10.631 -3.077 -4.227 1.00 0.00 C ATOM 867 O GLY A 58 -10.810 -2.519 -3.144 1.00 0.00 O ATOM 0 H GLY A 58 -11.149 -4.607 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.927 -5.027 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.642 -4.780 -5.067 1.00 0.00 H new ATOM 871 N HIS A 59 -10.247 -2.436 -5.338 1.00 0.00 N ATOM 872 CA HIS A 59 -9.884 -1.018 -5.435 1.00 0.00 C ATOM 873 C HIS A 59 -11.036 -0.050 -5.093 1.00 0.00 C ATOM 874 O HIS A 59 -12.210 -0.419 -5.113 1.00 0.00 O ATOM 875 CB HIS A 59 -9.395 -0.720 -6.866 1.00 0.00 C ATOM 876 CG HIS A 59 -8.439 -1.731 -7.452 1.00 0.00 C ATOM 877 ND1 HIS A 59 -8.657 -2.480 -8.588 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.197 -2.057 -6.978 1.00 0.00 C ATOM 879 CE1 HIS A 59 -7.564 -3.238 -8.789 1.00 0.00 C ATOM 880 NE2 HIS A 59 -6.653 -3.017 -7.831 1.00 0.00 N ATOM 0 H HIS A 59 -10.178 -2.915 -6.236 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.102 -0.849 -4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.264 -0.647 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.910 0.256 -6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.723 -1.644 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.438 -3.929 -9.609 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.740 -3.464 -7.743 1.00 0.00 H new ATOM 888 N HIS A 60 -10.690 1.219 -4.843 1.00 0.00 N ATOM 889 CA HIS A 60 -11.637 2.313 -4.597 1.00 0.00 C ATOM 890 C HIS A 60 -11.010 3.680 -4.935 1.00 0.00 C ATOM 891 O HIS A 60 -9.790 3.815 -5.043 1.00 0.00 O ATOM 892 CB HIS A 60 -12.182 2.252 -3.152 1.00 0.00 C ATOM 893 CG HIS A 60 -11.363 1.431 -2.185 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.689 0.186 -1.703 1.00 0.00 N ATOM 895 CD2 HIS A 60 -10.101 1.714 -1.751 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.648 -0.246 -0.972 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.655 0.651 -0.977 1.00 0.00 N ATOM 0 H HIS A 60 -9.716 1.521 -4.805 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.489 2.189 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.256 3.269 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.194 1.847 -3.180 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.560 -0.317 -1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.544 2.612 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.617 -1.191 -0.450 1.00 0.00 H new ATOM 905 N ASN A 61 -11.856 4.706 -5.095 1.00 0.00 N ATOM 906 CA ASN A 61 -11.515 6.024 -5.623 1.00 0.00 C ATOM 907 C ASN A 61 -10.945 6.946 -4.533 1.00 0.00 C ATOM 908 O ASN A 61 -11.544 7.968 -4.182 1.00 0.00 O ATOM 909 CB ASN A 61 -12.750 6.622 -6.326 1.00 0.00 C ATOM 910 CG ASN A 61 -13.229 5.773 -7.496 1.00 0.00 C ATOM 911 OD1 ASN A 61 -12.451 5.267 -8.287 1.00 0.00 O ATOM 912 ND2 ASN A 61 -14.525 5.583 -7.639 1.00 0.00 N ATOM 0 H ASN A 61 -12.842 4.631 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.719 5.922 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.559 6.727 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.510 7.623 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.875 5.014 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.178 6.005 -6.979 1.00 0.00 H new ATOM 919 N CYS A 62 -9.790 6.556 -3.981 1.00 0.00 N ATOM 920 CA CYS A 62 -9.163 7.200 -2.829 1.00 0.00 C ATOM 921 C CYS A 62 -8.968 8.710 -3.009 1.00 0.00 C ATOM 922 O CYS A 62 -8.101 9.162 -3.755 1.00 0.00 O ATOM 923 CB CYS A 62 -7.838 6.526 -2.489 1.00 0.00 C ATOM 924 SG CYS A 62 -8.008 4.785 -2.061 1.00 0.00 S ATOM 0 H CYS A 62 -9.255 5.763 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.855 7.075 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.163 6.619 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.374 7.053 -1.655 1.00 0.00 H new